N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-(1-methylpyrrol-2-yl)carbonyl-4-(thiophen-2-ylsulfonylamino)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-(thiophen-2-ylsulfonylamino)piperidine-2-carboxamide Openeye Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(1-methylpyrrole-2-carbonyl)-4-(2-thienylsulfonylamino)piperidine-2-carboxamide CAS Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-4-(thiophen-2-ylsulfonylamino)-2-piperidinecarboxamide IUPAC Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(1-methylpyrrole-2-carbonyl)-4-(thiophen-2-ylsulfonylamino)piperidine-2-carboxamide Traditional Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-(1-methylpyrrole-2-carbonyl)-4-(2-thienylsulfonylamino)pipecolinamide Formula: C27H30N6O5S2 MolecularWeight: 582.6943

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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)NS(=O)(=O)C5=CC=CS5

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC(CC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C27H30N6O5S2/c1-32-11-4-8-22(32)27(36)33-12-10-18(31-40(37,38)24-9-5-13-39-24)15-23(33)26(35)30-21(25(28)34)14-17-16-29-20-7-3-2-6-19(17)20/h2-9,11,13,16,18,21,23,29,31H,10,12,14-15H2,1H3,(H2,28,34)(H,30,35)