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

Systemtic Name: 4-azanyl-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: 4-amino-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: 4-amino-1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 4-amino-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: 4-amino-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C29H33N5O5 MolecularWeight: 531.60282

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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=CN=CC=C4)N)O

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O5/c1-18-22(10-5-11-25(18)35)27(37)33-23(13-19-7-3-2-4-8-19)26(36)29(39)34-17-21(30)14-24(34)28(38)32-16-20-9-6-12-31-15-20/h2-12,15,21,23-24,26,35-36H,13-14,16-17,30H2,1H3,(H,32,38)(H,33,37)