2-azanyl-6-methyl-3-[3-methyl-2-[(4-oxidanyl-1-phenylmethoxycarbonyl-pyrrolidin-2-yl)carbonylamino]butanoyl]benzoic acid

Systemtic Name: 2-azanyl-6-methyl-3-[3-methyl-2-[(4-oxidanyl-1-phenylmethoxycarbonyl-pyrrolidin-2-yl)carbonylamino]butanoyl]benzoic acid Openeye Name: 2-amino-3-[2-[(1-benzyloxycarbonyl-4-hydroxy-pyrrolidine-2-carbonyl)amino]-3-methyl-butanoyl]-6-methyl-benzoic acid CAS Name: 2-amino-3-[2-[[(4-hydroxy-1-phenylmethoxycarbonyl-2-pyrrolidinyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-6-methylbenzoic acid IUPAC Name: 2-amino-3-[2-[(4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]-3-methylbutanoyl]-6-methylbenzoic acid Traditional Name: 2-amino-3-[2-[(1-carbobenzoxy-4-hydroxy-prolyl)amino]-3-methyl-butanoyl]-6-methyl-benzoic acid Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)C(C(C)C)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O)N)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)C(C(C)C)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O)N)C(=O)O

InChI

InChI=1S/C26H31N3O7/c1-14(2)22(23(31)18-10-9-15(3)20(21(18)27)25(33)34)28-24(32)19-11-17(30)12-29(19)26(35)36-13-16-7-5-4-6-8-16/h4-10,14,17,19,22,30H,11-13,27H2,1-3H3,(H,28,32)(H,33,34)