N-[1-[(4-carbamimidoylphenyl)methylamino]-3-methoxy-1-oxidanylidene-propan-2-yl]-4-methyl-2-[(phenylmethyl)sulfonylamino]pentanamide

Systemtic Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-3-methoxy-1-oxidanylidene-propan-2-yl]-4-methyl-2-[(phenylmethyl)sulfonylamino]pentanamide Openeye Name: 2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-(methoxymethyl)-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-[(phenylmethyl)sulfonylamino]pentanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]-4-methylpentanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-2-keto-1-(methoxymethyl)ethyl]-2-(benzylsulfonylamino)-4-methyl-valeramide Formula: C25H35N5O5S MolecularWeight: 517.6409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O5S/c1-17(2)13-21(30-36(33,34)16-19-7-5-4-6-8-19)25(32)29-22(15-35-3)24(31)28-14-18-9-11-20(12-10-18)23(26)27/h4-12,17,21-22,30H,13-16H2,1-3H3,(H3,26,27)(H,28,31)(H,29,32)