methyl (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl (1R)-2-[[2-(5-carbamimidoylbenzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexanecarboxylate CAS Name: (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenylpropanoyl]amino]cyclohexane-1-carboxylate Traditional Name: (1R)-2-[[2-(5-amidinobenzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC1NC(=O)C(CC2=CC=CC=C2)C3=CSC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)[C@@H]1CCCCC1NC(=O)C(CC2=CC=CC=C2)C3=CSC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C26H29N3O3S/c1-32-26(31)18-9-5-6-10-22(18)29-25(30)20(13-16-7-3-2-4-8-16)21-15-33-23-12-11-17(24(27)28)14-19(21)23/h2-4,7-8,11-12,14-15,18,20,22H,5-6,9-10,13H2,1H3,(H3,27,28)(H,29,30)/t18-,20?,22?/m1/s1