4-fluoranyl-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide

Systemtic Name: 4-fluoranyl-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide Openeye Name: 4-fluoro-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide CAS Name: 4-fluoro-1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-N-[2-(1-pyrrolidinyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-fluoro-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide Traditional Name: 4-fluoro-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(2-pyrrolidinoethyl)pyrrolidine-2-carboxamide Formula: C29H37FN4O5 MolecularWeight: 540.626283

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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)NCCN4CCCC4)F)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)NCCN4CCCC4)F)O

InChI

InChI=1S/C29H37FN4O5/c1-19-22(10-7-11-25(19)35)27(37)32-23(16-20-8-3-2-4-9-20)26(36)29(39)34-18-21(30)17-24(34)28(38)31-12-15-33-13-5-6-14-33/h2-4,7-11,21,23-24,26,35-36H,5-6,12-18H2,1H3,(H,31,38)(H,32,37)