N-[(4-carbamimidoylphenyl)methyl]-2-[[3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]hexanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[[3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]hexanamide Openeye Name: 2-[[2-(benzylsulfonylamino)-3-cyclohexyl-propanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]hexanamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[[3-cyclohexyl-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]amino]hexanamide IUPAC Name: 2-[[2-(benzylsulfonylamino)-3-cyclohexylpropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]hexanamide Traditional Name: N-(4-amidinobenzyl)-2-[[2-(benzylsulfonylamino)-3-cyclohexyl-propanoyl]amino]hexanamide Formula: C30H43N5O4S MolecularWeight: 569.75852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CC2CCCCC2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CC2CCCCC2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C30H43N5O4S/c1-2-3-14-26(29(36)33-20-23-15-17-25(18-16-23)28(31)32)34-30(37)27(19-22-10-6-4-7-11-22)35-40(38,39)21-24-12-8-5-9-13-24/h5,8-9,12-13,15-18,22,26-27,35H,2-4,6-7,10-11,14,19-21H2,1H3,(H3,31,32)(H,33,36)(H,34,37)