N-[[5-[(E)-N'-oxidanylcarbamimidoyl]thiophen-2-yl]methyl]-1-[1-(3-phenylprop-2-ynoylamino)cyclopentyl]carbonyl-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: N-[[5-[(E)-N'-oxidanylcarbamimidoyl]thiophen-2-yl]methyl]-1-[1-(3-phenylprop-2-ynoylamino)cyclopentyl]carbonyl-2,5-dihydropyrrole-2-carboxamide Openeye Name: N-[[5-[(E)-N'-hydroxycarbamimidoyl]-2-thienyl]methyl]-1-[1-(3-phenylprop-2-ynoylamino)cyclopentanecarbonyl]-2,5-dihydropyrrole-2-carboxamide CAS Name: N-[[5-[(E)-amino(hydroxyimino)methyl]-2-thiophenyl]methyl]-1-[oxo-[1-[(1-oxo-3-phenylprop-2-ynyl)amino]cyclopentyl]methyl]-2,5-dihydropyrrole-2-carboxamide IUPAC Name: N-[[5-[(E)-N'-hydroxycarbamimidoyl]thiophen-2-yl]methyl]-1-[1-(3-phenylprop-2-ynoylamino)cyclopentanecarbonyl]-2,5-dihydropyrrole-2-carboxamide Traditional Name: N-[[5-[(E)-aminocarbohydroximoyl]-2-thienyl]methyl]-1-[1-[(3-phenylpropioloyl)amino]cyclopentanecarbonyl]-3-pyrroline-2-carboxamide Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N2CC=CC2C(=O)NCC3=CC=C(S3)C(=NO)N)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C(=O)N2CC=CC2C(=O)NCC3=CC=C(S3)/C(=N\O)/N)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O4S/c27-23(30-35)21-12-11-19(36-21)17-28-24(33)20-9-6-16-31(20)25(34)26(14-4-5-15-26)29-22(32)13-10-18-7-2-1-3-8-18/h1-3,6-9,11-12,20,35H,4-5,14-17H2,(H2,27,30)(H,28,33)(H,29,32)