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

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl)-1-(1-methylpyrrol-2-yl)carbonyl-4-(2-oxidanylethanoylamino)piperidine-2-carboxamide Openeye Name: N-[2-amino-2-oxo-1-(2-thienylmethyl)ethyl]-4-[(2-hydroxyacetyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxamide CAS Name: N-(1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-4-[(2-hydroxy-1-oxoethyl)amino]-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: N-(1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-4-[(2-hydroxyacetyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxamide Traditional Name: N-[2-amino-2-keto-1-(2-thenyl)ethyl]-4-(glycoloylamino)-1-(1-methylpyrrole-2-carbonyl)pipecolinamide Formula: C21H27N5O5S MolecularWeight: 461.53458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCC(CC2C(=O)NC(CC3=CC=CS3)C(=O)N)NC(=O)CO

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC(CC2C(=O)NC(CC3=CC=CS3)C(=O)N)NC(=O)CO

InChI

InChI=1S/C21H27N5O5S/c1-25-7-2-5-16(25)21(31)26-8-6-13(23-18(28)12-27)10-17(26)20(30)24-15(19(22)29)11-14-4-3-9-32-14/h2-5,7,9,13,15,17,27H,6,8,10-12H2,1H3,(H2,22,29)(H,23,28)(H,24,30)