N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-4-phenyl-butan-2-yl]-2-[(phenylmethyl)sulfonylamino]-5-pyridin-4-yl-pentanamide

Systemtic Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-4-phenyl-butan-2-yl]-2-[(phenylmethyl)sulfonylamino]-5-pyridin-4-yl-pentanamide Openeye Name: 2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-phenyl-propyl]-5-(4-pyridyl)pentanamide CAS Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]-2-[(phenylmethyl)sulfonylamino]-5-pyridin-4-ylpentanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]-5-pyridin-4-ylpentanamide Traditional Name: N-[1-[(4-amidinobenzyl)carbamoyl]-3-phenyl-propyl]-2-(benzylsulfonylamino)-5-(4-pyridyl)valeramide Formula: C35H40N6O4S MolecularWeight: 640.7949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NCC2=CC=C(C=C2)C(=N)N)NC(=O)C(CCCC3=CC=NC=C3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)NCC2=CC=C(C=C2)C(=N)N)NC(=O)C(CCCC3=CC=NC=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C35H40N6O4S/c36-33(37)30-17-14-28(15-18-30)24-39-34(42)31(19-16-26-8-3-1-4-9-26)40-35(43)32(13-7-12-27-20-22-38-23-21-27)41-46(44,45)25-29-10-5-2-6-11-29/h1-6,8-11,14-15,17-18,20-23,31-32,41H,7,12-13,16,19,24-25H2,(H3,36,37)(H,39,42)(H,40,43)