(1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-propanoyl]amino]-N-(phenylmethyl)cyclohexane-1-carboxamide

Systemtic Name: (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-propanoyl]amino]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: (1R)-N-benzyl-2-[[2-(5-carbamimidoylbenzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexanecarboxamide CAS Name: (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-1-oxo-3-phenylpropyl]amino]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: (1R)-N-benzyl-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide Traditional Name: (1R)-2-[[2-(5-amidinobenzothiophen-3-yl)-3-phenyl-propanoyl]amino]-N-benzyl-cyclohexanecarboxamide Formula: C32H34N4O2S MolecularWeight: 538.70296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)C4=CSC5=C4C=C(C=C5)C(=N)N

Isomeric SMILES

C1CCC([C@@H](C1)C(=O)NCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)C4=CSC5=C4C=C(C=C5)C(=N)N

InChI

InChI=1S/C32H34N4O2S/c33-30(34)23-15-16-29-25(18-23)27(20-39-29)26(17-21-9-3-1-4-10-21)32(38)36-28-14-8-7-13-24(28)31(37)35-19-22-11-5-2-6-12-22/h1-6,9-12,15-16,18,20,24,26,28H,7-8,13-14,17,19H2,(H3,33,34)(H,35,37)(H,36,38)/t24-,26?,28?/m1/s1