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

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-1-(1-methylpyrrol-2-yl)carbonyl-4-(piperidin-4-ylcarbonylamino)piperidine-2-carboxamide Openeye Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-1-(1-methylpyrrole-2-carbonyl)-4-(piperidine-4-carbonylamino)piperidine-2-carboxamide CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-4-[[oxo(4-piperidinyl)methyl]amino]-2-piperidinecarboxamide IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(1-methylpyrrole-2-carbonyl)-4-(piperidine-4-carbonylamino)piperidine-2-carboxamide Traditional Name: N-(2-amino-1-benzyl-2-keto-ethyl)-4-(isonipecotoylamino)-1-(1-methylpyrrole-2-carbonyl)pipecolinamide Formula: C27H36N6O4 MolecularWeight: 508.61254

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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)NC(=O)C4CCNCC4

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC(CC2C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C4CCNCC4

InChI

InChI=1S/C27H36N6O4/c1-32-14-5-8-22(32)27(37)33-15-11-20(30-25(35)19-9-12-29-13-10-19)17-23(33)26(36)31-21(24(28)34)16-18-6-3-2-4-7-18/h2-8,14,19-21,23,29H,9-13,15-17H2,1H3,(H2,28,34)(H,30,35)(H,31,36)