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

Systemtic Name: (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: (1R)-2-[[2-(5-carbamimidoylbenzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexanecarboxylic acid CAS Name: (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenylpropanoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: (1R)-2-[[2-(5-amidinobenzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexanecarboxylic acid Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)C3=CSC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

C1CCC([C@@H](C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)C3=CSC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C25H27N3O3S/c26-23(27)16-10-11-22-18(13-16)20(14-32-22)19(12-15-6-2-1-3-7-15)24(29)28-21-9-5-4-8-17(21)25(30)31/h1-3,6-7,10-11,13-14,17,19,21H,4-5,8-9,12H2,(H3,26,27)(H,28,29)(H,30,31)/t17-,19?,21?/m1/s1