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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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