N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-1-(1-methylpyrrol-2-yl)carbonyl-4-(thiophen-2-ylsulfonylamino)piperidine-2-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-1-(1-methylpyrrol-2-yl)carbonyl-4-(thiophen-2-ylsulfonylamino)piperidine-2-carboxamide Openeye Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-1-(1-methylpyrrole-2-carbonyl)-4-(2-thienylsulfonylamino)piperidine-2-carboxamide CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-4-(thiophen-2-ylsulfonylamino)-2-piperidinecarboxamide IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(1-methylpyrrole-2-carbonyl)-4-(thiophen-2-ylsulfonylamino)piperidine-2-carboxamide Traditional Name: N-(2-amino-1-benzyl-2-keto-ethyl)-1-(1-methylpyrrole-2-carbonyl)-4-(2-thienylsulfonylamino)pipecolinamide Formula: C25H29N5O5S2 MolecularWeight: 543.65826

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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)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC(CC2C(=O)NC(CC3=CC=CC=C3)C(=O)N)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H29N5O5S2/c1-29-12-5-9-20(29)25(33)30-13-11-18(28-37(34,35)22-10-6-14-36-22)16-21(30)24(32)27-19(23(26)31)15-17-7-3-2-4-8-17/h2-10,12,14,18-19,21,28H,11,13,15-16H2,1H3,(H2,26,31)(H,27,32)