N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-(1-methylpyrrol-2-yl)carbonyl-4-(piperidin-4-ylcarbonylamino)piperidine-2-carboxamide

Systemtic Name: N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-(1-methylpyrrol-2-yl)carbonyl-4-(piperidin-4-ylcarbonylamino)piperidine-2-carboxamide Openeye Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(1-methylpyrrole-2-carbonyl)-4-(piperidine-4-carbonylamino)piperidine-2-carboxamide CAS Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-4-[[oxo(4-piperidinyl)methyl]amino]-2-piperidinecarboxamide IUPAC Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(1-methylpyrrole-2-carbonyl)-4-(piperidine-4-carbonylamino)piperidine-2-carboxamide Traditional Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-(isonipecotoylamino)-1-(1-methylpyrrole-2-carbonyl)pipecolinamide Formula: C29H37N7O4 MolecularWeight: 547.64858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCC(CC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)C5CCNCC5

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC(CC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)C5CCNCC5

InChI

InChI=1S/C29H37N7O4/c1-35-13-4-7-24(35)29(40)36-14-10-20(33-27(38)18-8-11-31-12-9-18)16-25(36)28(39)34-23(26(30)37)15-19-17-32-22-6-3-2-5-21(19)22/h2-7,13,17-18,20,23,25,31-32H,8-12,14-16H2,1H3,(H2,30,37)(H,33,38)(H,34,39)