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

Systemtic Name: 4-azanyl-N-[(4-dimethylaminophenyl)methyl]-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: 4-amino-N-[(4-dimethylaminophenyl)methyl]-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: 4-amino-N-[(4-dimethylaminophenyl)methyl]-1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-amino-N-[(4-dimethylaminophenyl)methyl]-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: 4-amino-N-[4-(dimethylamino)benzyl]-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Formula: C32H39N5O5 MolecularWeight: 573.68256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)NCC4=CC=C(C=C4)N(C)C)N)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)NCC4=CC=C(C=C4)N(C)C)N)O

InChI

InChI=1S/C32H39N5O5/c1-20-25(10-7-11-28(20)38)30(40)35-26(16-21-8-5-4-6-9-21)29(39)32(42)37-19-23(33)17-27(37)31(41)34-18-22-12-14-24(15-13-22)36(2)3/h4-15,23,26-27,29,38-39H,16-19,33H2,1-3H3,(H,34,41)(H,35,40)