5-[(N'-methylcarbamimidoyl)amino]-N-(2-oxidanylidenepropyl)-2-[(phenylmethyl)sulfonylamino]pentanamide

Systemtic Name: 5-[(N'-methylcarbamimidoyl)amino]-N-(2-oxidanylidenepropyl)-2-[(phenylmethyl)sulfonylamino]pentanamide Openeye Name: N-acetonyl-2-(benzylsulfonylamino)-5-[(N'-methylcarbamimidoyl)amino]pentanamide CAS Name: 5-[[amino(methylimino)methyl]amino]-N-(2-oxopropyl)-2-[(phenylmethyl)sulfonylamino]pentanamide IUPAC Name: 2-(benzylsulfonylamino)-5-[(N'-methylcarbamimidoyl)amino]-N-(2-oxopropyl)pentanamide Traditional Name: N-acetonyl-2-(benzylsulfonylamino)-5-[(N'-methylamidino)amino]valeramide Formula: C17H27N5O4S MolecularWeight: 397.49238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC(=O)C(CCCNC(=NC)N)NS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(=O)CNC(=O)C(CCCNC(=NC)N)NS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C17H27N5O4S/c1-13(23)11-21-16(24)15(9-6-10-20-17(18)19-2)22-27(25,26)12-14-7-4-3-5-8-14/h3-5,7-8,15,22H,6,9-12H2,1-2H3,(H,21,24)(H3,18,19,20)