N-(1-carbamimidoyl-2-oxidanyl-piperidin-3-yl)-1-[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: N-(1-carbamimidoyl-2-oxidanyl-piperidin-3-yl)-1-[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]-2,5-dihydropyrrole-2-carboxamide Openeye Name: N-(1-carbamimidoyl-2-hydroxy-3-piperidyl)-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]-2,5-dihydropyrrole-2-carboxamide CAS Name: N-(1-carbamimidoyl-2-hydroxy-3-piperidinyl)-1-[3-hydroxy-1-oxo-2-(phenethylsulfonylamino)propyl]-2,5-dihydropyrrole-2-carboxamide IUPAC Name: N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]-2,5-dihydropyrrole-2-carboxamide Traditional Name: N-(1-amidino-2-hydroxy-3-piperidyl)-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]-3-pyrroline-2-carboxamide Formula: C22H32N6O6S MolecularWeight: 508.59108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=N)N)O)NC(=O)C2C=CCN2C(=O)C(CO)NS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(C(N(C1)C(=N)N)O)NC(=O)C2C=CCN2C(=O)C(CO)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H32N6O6S/c23-22(24)28-12-4-8-16(20(28)31)25-19(30)18-9-5-11-27(18)21(32)17(14-29)26-35(33,34)13-10-15-6-2-1-3-7-15/h1-3,5-7,9,16-18,20,26,29,31H,4,8,10-14H2,(H3,23,24)(H,25,30)