4-azanyl-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 4-azanyl-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: 4-amino-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(o-tolylmethyl)pyrrolidine-2-carboxamide CAS Name: 4-amino-1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-N-[(2-methylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-amino-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 4-amino-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(2-methylbenzyl)pyrrolidine-2-carboxamide Formula: C31H36N4O5 MolecularWeight: 544.64134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CC(CN2C(=O)C(C(CC3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)O)C)O)N

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CC(CN2C(=O)C(C(CC3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)O)C)O)N

InChI

InChI=1S/C31H36N4O5/c1-19-9-6-7-12-22(19)17-33-30(39)26-16-23(32)18-35(26)31(40)28(37)25(15-21-10-4-3-5-11-21)34-29(38)24-13-8-14-27(36)20(24)2/h3-14,23,25-26,28,36-37H,15-18,32H2,1-2H3,(H,33,39)(H,34,38)