2-azanyl-4-methyl-pentanoic acid; (2S)-4-(3,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; (2S)-4-(3,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; (2S)-2-(benzyloxycarbonylamino)-4-(3,4-dimethylphenyl)butanoic acid CAS Name: 2-amino-4-methylpentanoic acid; (2S)-4-(3,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; (2S)-4-(3,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; (2S)-2-(benzyloxycarbonylamino)-4-(3,4-dimethylphenyl)butyric acid Formula: C26H36N2O6 MolecularWeight: 472.57384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C.CC(C)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)C.CC(C)CC(C(=O)O)N

InChI

InChI=1S/C20H23NO4.C6H13NO2/c1-14-8-9-16(12-15(14)2)10-11-18(19(22)23)21-20(24)25-13-17-6-4-3-5-7-17;1-4(2)3-5(7)6(8)9/h3-9,12,18H,10-11,13H2,1-2H3,(H,21,24)(H,22,23);4-5H,3,7H2,1-2H3,(H,8,9)/t18-;/m0./s1