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

2-(tert-butoxycarbonylamino)-3-hydroxy-3-methyl-butanoic acid
- ≥97%
Cas Number: 105504-72-1 Compound CID: 13756005

Formula: C₁₀H₁₉NO₅ Molecular Weight: 233.27

IUPAC Name: 3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

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

InChIKey: SZVRVSZFEDIMFM-UHFFFAOYSA-N

InChI: InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)
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methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobut
Formula: C₄₉H₅₆N₁₀O₇S Molecular Weight: 929.1

IUPAC Name: methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-show 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=CN=C(S9)C1CC1)NC(=O)OC

InChIKey: LTSZWQVAHDFPNW-PRMCSTHUSA-N

InChI: InChI=1S/C49H56N10O7S/c1-25(2)40(55-48(62)64-5)45(60)57-17-7-9-35(57)42-50-22-32(53-42)28-14-16-34-30(19-28)20-37-31-15-13-29(21-38(31)66-47(59(34)37)show more

Synonyms: CHEMBL3833385

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(2R)-2-(tert-butoxycarbonylamino)-3-methyl-3-sulfanyl-butanoic acid
Cas Number: 110763-40-1 Compound CID: 14031165

Formula: C₁₀H₁₉NO₄S Molecular Weight: 249.33

IUPAC Name: (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylbutanoic acid

SMILES: CC(C)(C)OC(=O)N[C@H](C(O)=O)C(C)(C)S

InChIKey: KATRCIRDUXIZQK-ZCFIWIBFSA-N

InChI: InChI=1S/C10H19NO4S/c1-9(2,3)15-8(14)11-6(7(12)13)10(4,5)16/h6,16H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1

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(2R)-2-[(4-hydroxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanehydroxamic acid hydrochloride
Cas Number: 779342-04-0 Compound CID: 91799152

Formula: C₁₇H₂₁N₃O₅S.HCl Molecular Weight: 415.9

IUPAC Name: (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride

SMILES: Cl.ONC(=O)[C@@H](C(C)C)N(CC1C=NC=CC=1)S(=O)(=O)C2=CC=C(O)C=C2

InChIKey: WWMUUIJQBMUGSU-PKLMIRHRSA-N

InChI: InChI=1S/C17H21N3O5S.ClH/c1-12(2)16(17(22)19-23)20(11-13-4-3-9-18-10-13)26(24,25)15-7-5-14(21)6-8-15;/h3-10,12,16,21,23H,11H2,1-2H3,(H,19,22);1H/t16-;show more

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Metapro
Cas Number: 431077-35-9 Compound CID: 6918653

Formula: C₂₂H₃₆N₂O₆ Molecular Weight: 424.5

IUPAC Name: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]cashow more

SMILES: CC(C)C(C(=O)N)NC(=O)OC1CCC2(CO2)C(C1OC)C3(C(O3)CC=C(C)C)C

InChIKey: QBDVVYNLLXGUGN-XGTBZJOHSA-N

InChI: InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,show more

Synonyms: PPI-2458 | Metapro | UNII-NA0Y2SRR29 | PPI 2458 | NA0Y2SRR29 | Carbamic acid, ((1R)-1-(aminocarbonyl)-2-methylpropyl)...

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DPC-681
- ≥99%
Cas Number: 284661-68-3 Compound CID: 3083536

Formula: C₃₅H₄₈FN₅O₅S Molecular Weight: 669.85

IUPAC Name: (2R)-N-(2-aminoacetyl)-2-[[(2S)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-[(3-fluorophenyl)methyl]amino]-3,3-dimshow more

SMILES: CC(C)CN(CC(C(CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)C(C(=O)NC(=O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N

InChIKey: BHPRDABYBCABNU-NCNGZOBXSA-N

InChI: InChI=1S/C35H48FN5O5S/c1-24(2)21-40(47(45,46)29-16-10-15-28(38)19-29)23-31(42)30(18-25-11-7-6-8-12-25)41(22-26-13-9-14-27(36)17-26)33(35(3,4)5)34(44)3show more

Synonyms: DPH 153893 | N-((3-Fluorophenyl)methyl)glycyl-N-((1S,2R)-3-(((3-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy...
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Valiltramiprosate
- ≥98%
Cas Number: 1034190-08-3 Compound CID: 25008296

Formula: C₈H₁₈N₂O₄S Molecular Weight: 238.30

IUPAC Name: 3-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid

SMILES: CC(C)[C@@H](C(=O)NCCCS(=O)(=O)O)N

InChIKey: NRZRFNYKMSAZBI-ZETCQYMHSA-N

InChI: InChI=1S/C8H18N2O4S/c1-6(2)7(9)8(11)10-4-3-5-15(12,13)14/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,12,13,14)/t7-/m0/s1

Synonyms: ALZ-801 | 3-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid | VALILTRAMIPROSATE [INN] | NRM-8499 | HY-1...
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(R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid
Cas Number: 70874-05-4

Formula: C₁₄H₁₉NO₄ Molecular Weight: 265.3

IUPAC Name: (2R)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid

SMILES: CC(C)(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChIKey: NSVNKQLSGGKNKB-NSHDSACASA-N

InChI: InChI=1S/C14H19NO4/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1

Synonyms: (R)-2-(benzyloxycarbonylamino)-3,3-dimethylbutanoic acid | (2R)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic a...

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Monodes(N-carboxymethyl)valine Daclatasvir
Cas Number: 1007884-60-7 Compound CID: 59668805

Formula: C₃₃H₃₉N₇O₃ Molecular Weight: 581.71

IUPAC Name: methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-ylshow more

SMILES: CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6)NC(=O)OC

InChIKey: BHLPGQSNBFUPQA-FMYROPPKSA-N

InChI: InChI=1S/C33H39N7O3/c1-20(2)29(39-33(42)43-3)32(41)40-17-5-7-28(40)31-36-19-27(38-31)24-14-10-22(11-15-24)21-8-12-23(13-9-21)26-18-35-30(37-26)25-6-4-show more

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Devaleryl Valsartan Impurity
- ≥99%
Cas Number: 676129-92-3 Compound CID: 10315945

Formula: C₁₉H₂₁N₅O₂ Molecular Weight: 351.4

IUPAC Name: (2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid

SMILES: CC(C)C(C(=O)O)NCC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3

InChIKey: NSXSCTCKWRSTHJ-KRWDZBQOSA-N

InChI: InChI=1S/C19H21N5O2/c1-12(2)17(19(25)26)20-11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18-21-23-24-22-18/h3-10,12,17,20H,11H2,1-2H3,(H,25,26)(H,21,22,23,24)show more
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Samatasvir
- ≥99%
Cas Number: 1312547-19-5 Compound CID: 58310140

Formula: C₄₇H₄₈N₈O₆S₂ Molecular Weight: 885.06

IUPAC Name: methyl N-[(1R)-2-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]thieno[3,2-b]thiophshow more

SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CSC5=C4SC=C5C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)NC(=O)OC

InChIKey: ATOLIHZIXHZSBA-BTSKBWHGSA-N

InChI: InChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15show more

Synonyms: Samatasvir | HY-16784 | SAMATASVIR [INN] | Carbamic acid, N-((1R)-2-((2S)-2-(5-(4-(6-(2-((2S)-1-((2S)-2-((methoxycarb...
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3-methyl-2-{[(pyridin-3-yl)methyl]amino}butanoic acid
- ≥97%
Cas Number: 1396962-65-4 Compound CID: 16769765

IUPAC Name: 3-methyl-2-(pyridin-3-ylmethylamino)butanoic acid

SMILES: CC(C)C(C(=O)O)NCC1=CN=CC=C1

InChIKey: IAJYKFWSMDDAEH-UHFFFAOYSA-N

InChI: InChI=1S/C11H16N2O2/c1-8(2)10(11(14)15)13-7-9-4-3-5-12-6-9/h3-6,8,10,13H,7H2,1-2H3,(H,14,15)

Synonyms: 1396962-65-4 | (Pyridin-3-ylmethyl)valine | SCHEMBL8843480 | F86083 | AKOS000126038 | 3-methyl-2-{[(pyridin-3-yl)meth...
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