N-acyl-alpha amino acids and derivatives

Description:

Compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

Ancestors:

Organic compounds ⮕ Organic acids and derivatives ⮕ Carboxylic acids and derivatives ⮕ Amino acids, peptides, and analogues ⮕ Amino acids and derivatives ⮕ Alpha amino acids and derivatives ⮕ N-acyl-alpha amino acids and derivatives

Notch inhibitor 1
- ≥99%
Cas Number: 1584647-27-7 Compound CID: 73388393

Formula: C₂₆H₂₅F₇N₄O₃ Molecular Weight: 574.49

IUPAC Name: (2S,3R)-N'-[(3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide

SMILES: CC1=C2C(=CC=C1)C(=NC(C(=O)N2)NC(=O)C(CCC(F)(F)F)C(CCC(F)(F)F)C(=O)N)C3=CC(=CC=C3)F

InChIKey: SRJNRAQUSAVENA-GSHUGGBRSA-N

InChI: InChI=1S/C26H25F7N4O3/c1-13-4-2-7-18-19(13)36-24(40)22(35-20(18)14-5-3-6-15(27)12-14)37-23(39)17(9-11-26(31,32)33)16(21(34)38)8-10-25(28,29)30/h2-7,12show more

Synonyms: Butanediamide, N1-((3S)-5-(3-fluorophenyl)-2,3-dihydro-9-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-triflu...
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S-777469
- ≥98%
Cas Number: 885496-53-7 Compound CID: 57331749

Formula: C₂₃H₂₇FN₂O₄ Molecular Weight: 414.47

IUPAC Name: 1-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

SMILES: CCC1=C(C=C(C(=O)N1CC2=CC=C(C=C2)F)C(=O)NC3(CCCCC3)C(=O)O)C

InChIKey: JIYXOJFSPOFZPY-UHFFFAOYSA-N

InChI: InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,2show more

Synonyms: S-777469 | BDBM50380892 | UNII-88NI79737I | Q27269944 | 885496-53-7 | HY-145153 | DTXSID301336647 | 88NI79737I | MS-2...
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AZ82
- ≥99%
Cas Number: 1449578-65-7 Compound CID: 91885438

Formula: C₂₈H₃₁F₃N₄O₃S Molecular Weight: 560.64

IUPAC Name: 5-methyl-N-[(2R)-1-oxo-1-[[(3R)-pyrrolidin-3-yl]amino]-3-[6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]propan-2-yl]-4-propylthiophene-2-carboxamide

SMILES: CCCC1=C(SC(=C1)C(=O)NC(CC2=CN=C(C=C2)C3=CC(=CC=C3)OC(F)(F)F)C(=O)NC4CCNC4)C

InChIKey: PMTLKNOARSHUJB-ZJSXRUAMSA-N

InChI: InChI=1S/C28H31F3N4O3S/c1-3-5-19-14-25(39-17(19)2)27(37)35-24(26(36)34-21-10-11-32-16-21)12-18-8-9-23(33-15-18)20-6-4-7-22(13-20)38-28(29,30)31/h4,6-9show more
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DI-591
- ≥99%
Cas Number: 2245887-38-9 Compound CID: 131750123

Formula: C₃₁H₄₇N₅O₄S Molecular Weight: 585.80

IUPAC Name: (2S)-N-[(1S)-1-cyclohexyl-2-(3-morpholin-4-ylpropanoylamino)ethyl]-2-(propanoylamino)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

SMILES: CCC(=O)NC(CC1=NC2=C(S1)C=C(C=C2)C(C)C)C(=O)NC(CNC(=O)CCN3CCOCC3)C4CCCCC4

InChIKey: CNJKDQGPBAWNRY-IZZNHLLZSA-N

InChI: InChI=1S/C31H47N5O4S/c1-4-28(37)33-25(19-30-34-24-11-10-23(21(2)3)18-27(24)41-30)31(39)35-26(22-8-6-5-7-9-22)20-32-29(38)12-13-36-14-16-40-17-15-36/h1show more
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FAPI-4
- ≥98%
Cas Number: 2374782-02-0 Compound CID: 138454803

Formula: C₄₀H₅₄F₂N₁₀O₁₀ Molecular Weight: 872.91

IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-[2-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2show more

SMILES: C1CN(CCN1CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(CC4C#N)(F)F)C(=O)CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O

InChIKey: ICWDAESAANBIGG-LJAQVGFWSA-N

InChI: InChI=1S/C40H54F2N10O10/c41-40(42)21-29(22-43)52(28-40)34(53)23-45-39(61)31-4-5-44-33-3-2-30(20-32(31)33)62-19-1-6-46-15-17-51(18-16-46)35(54)24-47-7-show more

Synonyms: MS-31619 | FAPI-04 | FAPI-4 | ICWDAESAANBIGG-LJAQVGFWSA-N | AT39479 | DOTA-fapi-04 | EX-A5967 | 2-[4,7-bis(carboxymet...
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CI-1044
- ≥98%
Cas Number: 197894-84-1 Compound CID: 9843744

Formula: C₂₃H₁₉N₅O₂ Molecular Weight: 397.43

IUPAC Name: N-[(11R)-6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-3-carboxamide

SMILES: C1CN2C(=O)C(N=C(C3=CC(=CC1=C32)N)C4=CC=CC=C4)NC(=O)C5=CN=CC=C5

InChIKey: XGXOSJSGDNPEEF-NRFANRHFSA-N

InChI: InChI=1S/C23H19N5O2/c24-17-11-15-8-10-28-20(15)18(12-17)19(14-5-2-1-3-6-14)26-21(23(28)30)27-22(29)16-7-4-9-25-13-16/h1-7,9,11-13,21H,8,10,24H2,(H,27,show more

Synonyms: SCHEMBL6441242 | BDBM50473083 | N-(9-amino-4-oxo-1-phenyl-3,4,6,7-tetrahydro(1,4)diazepino(6,7,1-hi)indol-3-yl)nicoti...
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JAK-IN-1
Cas Number: 1334673-53-8 Compound CID: 54589404

Formula: C₂₀H₂₄N₆O₂ Molecular Weight: 380.44

IUPAC Name: N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

SMILES: CC(C)(C)C(C(=O)N1CC(C1)C#N)NC(=O)C2=CNC3=NC=C(N=C23)C4CC4

InChIKey: SIEMFXMJGAMFQR-INIZCTEOSA-N

InChI: InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(show more

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BMS-983970
- ≥99%
Cas Number: 1584713-87-0 Compound CID: 73388374

Formula: C₂₆H₂₆F₄N₄O₃ Molecular Weight: 518.50

IUPAC Name: (2S,3R)-2-(cyclopropylmethyl)-N'-[(3S)-9-fluoro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3,3,3-trifluoropropyl)butanediamide

SMILES: C1CC1CC(C(CCC(F)(F)F)C(=O)NC2C(=O)NC3=C(C=CC=C3F)C(=N2)C4=CC=CC=C4)C(=O)N

InChIKey: RANYIWAZSQWERN-WLENULPWSA-N

InChI: InChI=1S/C26H26F4N4O3/c27-19-8-4-7-17-20(15-5-2-1-3-6-15)32-23(25(37)33-21(17)19)34-24(36)16(11-12-26(28,29)30)18(22(31)35)13-14-9-10-14/h1-8,14,16,18show more
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O2-tert-butyl O5-ethyl 7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate
- ≥97%
Cas Number: 1357351-87-1 EC Number: 881-497-9 Compound CID: 121229361

Formula: C₁₄H₂₂N₂O₅ Molecular Weight: 298.33

IUPAC Name: 2-O-tert-butyl 5-O-ethyl 7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate

SMILES: CCOC(=O)C1C2(CC(=O)N1)CN(C2)C(=O)OC(C)(C)C

InChIKey: HVOJRYNWIYULON-UHFFFAOYSA-N

InChI: InChI=1S/C14H22N2O5/c1-5-20-11(18)10-14(6-9(17)15-10)7-16(8-14)12(19)21-13(2,3)4/h10H,5-8H2,1-4H3,(H,15,17)

Synonyms: 2-tert-Butyl 5-ethyl 7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate | 2-O-tert-butyl 5-O-ethyl 7-oxo-2,6-diazaspir...
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(6S)-4-oxo-5-azaspiro[2.4]heptane-6-carboxylic acid
- ≥97%
Cas Number: 2102412-77-9 Compound CID: 129605395

Formula: C₇H₉NO₃ Molecular Weight: 155.15

IUPAC Name: (6S)-4-oxo-5-azaspiro[2.4]heptane-6-carboxylic acid

SMILES: C1CC12CC(NC2=O)C(=O)O

InChIKey: LFYFIPUSMXSACI-BYPYZUCNSA-N

InChI: InChI=1S/C7H9NO3/c9-5(10)4-3-7(1-2-7)6(11)8-4/h4H,1-3H2,(H,8,11)(H,9,10)/t4-/m0/s1

Synonyms: 5-Azaspiro[2.4]heptane-6-carboxylic acid, 4-oxo-, (6S)- | MFCD30749396 | P17404 | (6S)-4-oxo-5-azaspiro[2.4]heptane-6...
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(2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]propanoic acid
- ≥97%
Cas Number: 2241669-86-1 Compound CID: 142409041

Formula: C₁₇H₁₇N₆O₄FS Molecular Weight: 420.42

IUPAC Name: (2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]propanoic acid

SMILES: CC(=O)NC(CSC1=NC2=C(N1CC3=CC=C(C=C3)F)N=C(NC2=O)N)C(=O)O

InChIKey: DWTZTMSSTASBNX-NSHDSACASA-N

InChI: InChI=1S/C17H17FN6O4S/c1-8(25)20-11(15(27)28)7-29-17-21-12-13(22-16(19)23-14(12)26)24(17)6-9-2-4-10(18)5-3-9/h2-5,11H,6-7H2,1H3,(H,20,25)(H,27,28)(H3,show more

Synonyms: 2241669-86-1 | N-Acetyl-S-(2-amino-9-(4-fluorobenzyl)-6-oxo-6,9-dihydro-1H-purin-8-yl)-L-cysteine | SCHEMBL21977457 |...
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(3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid
- ≥97%
Cas Number: 1445865-55-3 Compound CID: 118106218

Formula: C₁₀H₉NO₆ Molecular Weight: 239.18

IUPAC Name: (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid

SMILES: C1CC2=C(C(=CC(=O)N2C1C(=O)O)O)C(=O)O

InChIKey: HUFICPZUGMCVGN-YFKPBYRVSA-N

InChI: InChI=1S/C10H9NO6/c12-6-3-7(13)11-4(8(6)10(16)17)1-2-5(11)9(14)15/h3,5,12H,1-2H2,(H,14,15)(H,16,17)/t5-/m0/s1

Synonyms: 1445865-55-3 | (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid | 3,8-Indolizinedicarboxylic acid...
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