N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrol-2-yl)carbonyl-piperidine-2-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrol-2-yl)carbonyl-piperidine-2-carboxamide Openeye Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxamide CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[(4-fluorophenyl)methylthio]-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxamide Traditional Name: N-(2-amino-1-benzyl-2-keto-ethyl)-4-[(4-fluorobenzyl)thio]-1-(1-methylpyrrole-2-carbonyl)pipecolinamide Formula: C28H31FN4O3S MolecularWeight: 522.634143

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCC(CC2C(=O)NC(CC3=CC=CC=C3)C(=O)N)SCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC(CC2C(=O)NC(CC3=CC=CC=C3)C(=O)N)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C28H31FN4O3S/c1-32-14-5-8-24(32)28(36)33-15-13-22(37-18-20-9-11-21(29)12-10-20)17-25(33)27(35)31-23(26(30)34)16-19-6-3-2-4-7-19/h2-12,14,22-23,25H,13,15-18H2,1H3,(H2,30,34)(H,31,35)