2-methyl-6-[[3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-6-[[3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoyl]amino]benzoic acid Openeye Name: 2-[[2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid CAS Name: 2-methyl-6-[[3-methyl-1-oxo-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]butyl]amino]benzoic acid IUPAC Name: 2-methyl-6-[[3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoyl]amino]benzoic acid Traditional Name: 2-[[2-[(1-carbobenzoxyprolyl)amino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H31N3O6/c1-16(2)22(24(31)27-19-12-7-9-17(3)21(19)25(32)33)28-23(30)20-13-8-14-29(20)26(34)35-15-18-10-5-4-6-11-18/h4-7,9-12,16,20,22H,8,13-15H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)