N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-4-phenyl-butan-2-yl]-2-[(phenylmethyl)sulfonylamino]-5-pyridin-3-yl-pentanamide

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

Click to see the large picture

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=CN=CC=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=CN=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

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