N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-pentan-2-yl]-4-methyl-2-[(phenylmethyl)sulfonylamino]pentanamide

Systemtic Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-pentan-2-yl]-4-methyl-2-[(phenylmethyl)sulfonylamino]pentanamide Openeye Name: 2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylcarbamoyl]butyl]-4-methyl-pentanamide CAS Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxopentan-2-yl]-4-methyl-2-[(phenylmethyl)sulfonylamino]pentanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: N-[1-[(4-amidinobenzyl)carbamoyl]butyl]-2-(benzylsulfonylamino)-4-methyl-valeramide Formula: C26H37N5O4S MolecularWeight: 515.66808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CC(C)C)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CC(C)C)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C26H37N5O4S/c1-4-8-22(25(32)29-16-19-11-13-21(14-12-19)24(27)28)30-26(33)23(15-18(2)3)31-36(34,35)17-20-9-6-5-7-10-20/h5-7,9-14,18,22-23,31H,4,8,15-17H2,1-3H3,(H3,27,28)(H,29,32)(H,30,33)