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

Systemtic Name: 1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-4-oxidanyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: 4-hydroxy-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: 4-hydroxy-1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-N-(2-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 4-hydroxy-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: 4-hydroxy-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C29H32N4O6 MolecularWeight: 532.58758

Click to see the large picture

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=CC=N4)O)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)NCC4=CC=CC=N4)O)O

InChI

InChI=1S/C29H32N4O6/c1-18-22(11-7-12-25(18)35)27(37)32-23(14-19-8-3-2-4-9-19)26(36)29(39)33-17-21(34)15-24(33)28(38)31-16-20-10-5-6-13-30-20/h2-13,21,23-24,26,34-36H,14-17H2,1H3,(H,31,38)(H,32,37)