N-[(4-carbamimidoylphenyl)methyl]-2-[[2-cyclohexyl-2-[(phenylmethyl)sulfonylamino]ethanoyl]amino]hexanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[[2-cyclohexyl-2-[(phenylmethyl)sulfonylamino]ethanoyl]amino]hexanamide Openeye Name: 2-[[2-(benzylsulfonylamino)-2-cyclohexyl-acetyl]amino]-N-[(4-carbamimidoylphenyl)methyl]hexanamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[[2-cyclohexyl-1-oxo-2-[(phenylmethyl)sulfonylamino]ethyl]amino]hexanamide IUPAC Name: 2-[[2-(benzylsulfonylamino)-2-cyclohexylacetyl]amino]-N-[(4-carbamimidoylphenyl)methyl]hexanamide Traditional Name: N-(4-amidinobenzyl)-2-[[2-(benzylsulfonylamino)-2-cyclohexyl-acetyl]amino]hexanamide Formula: C29H41N5O4S MolecularWeight: 555.73194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(C2CCCCC2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(C2CCCCC2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C29H41N5O4S/c1-2-3-14-25(28(35)32-19-21-15-17-24(18-16-21)27(30)31)33-29(36)26(23-12-8-5-9-13-23)34-39(37,38)20-22-10-6-4-7-11-22/h4,6-7,10-11,15-18,23,25-26,34H,2-3,5,8-9,12-14,19-20H2,1H3,(H3,30,31)(H,32,35)(H,33,36)