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

Systemtic Name: ethyl (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3S/c1-2-33-27(32)19-10-6-7-11-23(19)30-26(31)21(14-17-8-4-3-5-9-17)22-16-34-24-13-12-18(25(28)29)15-20(22)24/h3-5,8-9,12-13,15-16,19,21,23H,2,6-7,10-11,14H2,1H3,(H3,28,29)(H,30,31)/t19-,21?,23?/m1/s1