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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[[3-naphthalen-2-yl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]hexanamide Openeye Name: 2-[[2-(benzylsulfonylamino)-3-(2-naphthyl)propanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]hexanamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[[3-(2-naphthalenyl)-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]amino]hexanamide IUPAC Name: 2-[[2-(benzylsulfonylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]hexanamide Traditional Name: N-(4-amidinobenzyl)-2-[[2-(benzylsulfonylamino)-3-(2-naphthyl)propanoyl]amino]hexanamide Formula: C34H39N5O4S MolecularWeight: 613.76956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C34H39N5O4S/c1-2-3-13-30(33(40)37-22-24-14-18-28(19-15-24)32(35)36)38-34(41)31(39-44(42,43)23-25-9-5-4-6-10-25)21-26-16-17-27-11-7-8-12-29(27)20-26/h4-12,14-20,30-31,39H,2-3,13,21-23H2,1H3,(H3,35,36)(H,37,40)(H,38,41)