N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanoyl]-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanoyl]-2,5-dihydropyrrole-2-carboxamide Openeye Name: 1-[2-(benzylsulfonylamino)-3-hydroxy-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-hydroxy-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]-2,5-dihydropyrrole-2-carboxamide IUPAC Name: 1-[2-(benzylsulfonylamino)-3-hydroxypropanoyl]-N-[(4-carbamimidoylphenyl)methyl]-2,5-dihydropyrrole-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(benzylsulfonylamino)-3-hydroxy-propanoyl]-3-pyrroline-2-carboxamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(N1C(=O)C(CO)NS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1C=CC(N1C(=O)C(CO)NS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H27N5O5S/c24-21(25)18-10-8-16(9-11-18)13-26-22(30)20-7-4-12-28(20)23(31)19(14-29)27-34(32,33)15-17-5-2-1-3-6-17/h1-11,19-20,27,29H,12-15H2,(H3,24,25)(H,26,30)