N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-hydroxy-1-oxo-2-(phenethylsulfonylamino)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C24H31N5O5S MolecularWeight: 501.59844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CO)NS(=O)(=O)CCC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CO)NS(=O)(=O)CCC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H31N5O5S/c25-22(26)19-10-8-18(9-11-19)15-27-23(31)21-7-4-13-29(21)24(32)20(16-30)28-35(33,34)14-12-17-5-2-1-3-6-17/h1-3,5-6,8-11,20-21,28,30H,4,7,12-16H2,(H3,25,26)(H,27,31)