Valine and derivatives

Description:

Compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

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 ⮕ Valine and derivatives

MDL 28170
- 10mM in DMSO
Cas Number: 88191-84-8(DMSO)

Formula: C₂₂H₂₆N₂O₄ Molecular Weight: 382.45

IUPAC Name: benzyl N-[(2S)-3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]carbamate

SMILES: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2

InChIKey: NGBKFLTYGSREKK-ANYOKISRSA-N

InChI: InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,show more

Synonyms: Calpain Inhibitor III|88191-84-8|MDL-28170|Calpain Inhibitor III, MDL 28170|benzyl N-[(2s)-3-methyl-1-oxo-1-[(1-oxo-3...
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L-Valine
Cas Number: 72-18-4 EC Number: 200-773-6

Formula: C₅H₁₁NO₂ Molecular Weight: 117.15

IUPAC Name: (2S)-2-amino-3-methylbutanoic acid

SMILES: CC(C)C(C(=O)O)N

InChIKey: KZSNJWFQEVHDMF-BYPYZUCNSA-N

InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

Synonyms: val | H-Val-OH | L-2-Aminoisovaleric Acid | valine | (S)-Valine | (S)-(+)-Valine
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D-Penicillamine disulfide
- ≥97%
Cas Number: 20902-45-8

Formula: C₁₀H₂₀N₂O₄S₂ Molecular Weight: 296.41

IUPAC Name: (2S)-2-amino-3-[[(1S)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid

SMILES: CC(C)(C(C(=O)O)N)SSC(C)(C)C(C(=O)O)N

InChIKey: POYPKGFSZHXASD-WDSKDSINSA-N

InChI: InChI=1S/C10H20N2O4S2/c1-9(2,5(11)7(13)14)17-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)/t5-,6-/m0/s1

Synonyms: 3,3'-Dithiobis(2-amino-3-methylbutyric acid) | PENICILLAMINE DISULFIDE, D- | (2S,2'S)-3,3'-dithiobis(2-amino-3-methyl...
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DL-Valine-d₈
- ≥98 atom% D,≥98%
Cas Number: 203784-63-8

Formula: (CD₃)₂CDCD(NH₂)CO₂H Molecular Weight: 125.2

IUPAC Name: 2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoic acid

SMILES: CC(C)C(C(=O)O)N

InChIKey: KZSNJWFQEVHDMF-PIODKIDGSA-N

InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i1D3,2D3,3D,4D

Synonyms: DTXSID40514732 | (2,3,4,4,4,4',4',4'-~2~H_8_)Valine | DL-Valine-d8, 98 atom % D | D98944 | DL-Valine-2,3,4,4,4,5,5,5-...
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VL285
- 10mM in DMSO
Cas Number: 1448188-57-5 Compound CID: 71667162

Formula: C₂₉H₃₂N₄O₄S Molecular Weight: 532.65

IUPAC Name: (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)C)N4CC5=CC=CC=C5C4=O)O

InChIKey: HEDFFPYRFJKXQP-VJTSUQJLSA-N

InChI: InChI=1S/C29H32N4O4S/c1-17(2)25(33-14-21-6-4-5-7-23(21)28(33)36)29(37)32-15-22(34)12-24(32)27(35)30-13-19-8-10-20(11-9-19)26-18(3)31-16-38-26/h4-11,16show more

Synonyms: 2-Pyrrolidinecarboxamide,1-[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-3-methyl-1-oxobutyl]-4-...
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VL285
- ≥98%
Cas Number: 1448188-57-5 Compound CID: 71667162

Formula: C₂₉H₃₂N₄O₄S Molecular Weight: 532.65

IUPAC Name: (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)C)N4CC5=CC=CC=C5C4=O)O

InChIKey: HEDFFPYRFJKXQP-VJTSUQJLSA-N

InChI: InChI=1S/C29H32N4O4S/c1-17(2)25(33-14-21-6-4-5-7-23(21)28(33)36)29(37)32-15-22(34)12-24(32)27(35)30-13-19-8-10-20(11-9-19)26-18(3)31-16-38-26/h4-11,16show more

Synonyms: 2-Pyrrolidinecarboxamide,1-[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-3-methyl-1-oxobutyl]-4-...
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Talabostat mesylate
- 10mM in DMSO
Cas Number: 150080-09-4 Compound CID: 11522448

Formula: C₁₀H₂₃BN₂O₆S Molecular Weight: 310.18

IUPAC Name: [(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid;methanesulfonic acid

SMILES: B(C1CCCN1C(=O)C(C(C)C)N)(O)O.CS(=O)(=O)O

InChIKey: OXYYOEIGQRXGPI-WSZWBAFRSA-N

InChI: InChI=1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1

Synonyms: Talabostat mesylate | Talabostat mesilate | Val-boroPro | HY-13233A | SY013378 | Talabostat mesylate; Val-boroPro; PT...
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TCS OX2 29
- 10mM in DMSO
Cas Number: 372523-75-6 Compound CID: 10408514

Formula: C₂₃H₃₁N₃O₃ Molecular Weight: 397.5

IUPAC Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one

SMILES: CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3

InChIKey: COFVZFLCAOUMJT-OAQYLSRUSA-N

InChI: InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/show more

Synonyms: TCS-OX2-29|372523-75-6|TCS OX2 29|CID 10408514|CHEMBL142009|(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,...
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MDL 28170
- ≥95%(HPLC)
Cas Number: 88191-84-8

Formula: C₂₂H₂₆N₂O₄ Molecular Weight: 382.45

IUPAC Name: benzyl N-[(2S)-3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]carbamate

SMILES: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2

InChIKey: NGBKFLTYGSREKK-ANYOKISRSA-N

InChI: InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,show more

Synonyms: [1-(1-Formyl-2-phenyl-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester | S7394 | SCHEMBL8537196 | MLS00215...
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L-tert-Leucine Methylamide
- ≥97%
Cas Number: 89226-12-0

Formula: C₇H₁₆N₂O Molecular Weight: 144.21

IUPAC Name: (2S)-2-amino-N,3,3-trimethylbutanamide

SMILES: CC(C)(C)C(C(=O)NC)N

InChIKey: BPKJNEIOHOEWLO-RXMQYKEDSA-N

InChI: InChI=1S/C7H16N2O/c1-7(2,3)5(8)6(10)9-4/h5H,8H2,1-4H3,(H,9,10)/t5-/m1/s1

Synonyms: (S)-2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE | EN300-2991814 | MFCD00673329 | SCHEMBL342534 | A843096 | DB01949 | DTXSID3039...
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L-Valine
- 10mM in Water
Cas Number: 72-18-4 EC Number: 200-773-6

Formula: C₅H₁₁NO₂ Molecular Weight: 117.15

IUPAC Name: (2S)-2-amino-3-methylbutanoic acid

SMILES: CC(C)C(C(=O)O)N

InChIKey: KZSNJWFQEVHDMF-BYPYZUCNSA-N

InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

Synonyms: L-valine|valine|72-18-4|(S)-Valine|H-Val-OH|(S)-2-Amino-3-methylbutanoic acid|(2S)-2-amino-3-methylbutanoic acid|2-Am...
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Elbasvir
- 10mM in DMSO
Cas Number: 1370468-36-2

Formula: C₄₉H₅₅N₉O₇ Molecular Weight: 882.02

IUPAC Name: methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1show more

SMILES: CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC4=C(C=C3)N5C(OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC

InChIKey: BVAZQCUMNICBAQ-PZHYSIFUSA-N

InChI: InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)show more

Synonyms: AKOS030526458 | ELBASVIR [MI] | HY-15789 | Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]ox...
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