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

Systemtic Name: 4-chloranyl-3-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: 4-chloro-3-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(o-tolylmethyl)pyrrolidine-2-carboxamide CAS Name: 4-chloro-3-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-N-[(2-methylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-chloro-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 4-chloro-3-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(2-methylbenzyl)pyrrolidine-2-carboxamide Formula: C31H34ClN3O5 MolecularWeight: 564.07176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2C(C(CN2)Cl)C(=O)C(C(CC3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)O)C)O

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2C(C(CN2)Cl)C(=O)C(C(CC3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)O)C)O

InChI

InChI=1S/C31H34ClN3O5/c1-18-9-6-7-12-21(18)16-34-31(40)27-26(23(32)17-33-27)29(38)28(37)24(15-20-10-4-3-5-11-20)35-30(39)22-13-8-14-25(36)19(22)2/h3-14,23-24,26-28,33,36-37H,15-17H2,1-2H3,(H,34,40)(H,35,39)