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

Systemtic Name: (1R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxamide Openeye Name: (1R)-N-(2-amino-2-oxo-ethyl)-2-[[2-(5-carbamimidoylbenzothiophen-3-yl)-3-phenyl-propanoyl]amino]cyclohexanecarboxamide CAS Name: (1R)-N-(2-amino-2-oxoethyl)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxamide IUPAC Name: (1R)-N-(2-amino-2-oxoethyl)-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-(2-amino-2-keto-ethyl)cyclohexanecarboxamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O3S/c28-24(33)14-31-26(34)18-8-4-5-9-22(18)32-27(35)20(12-16-6-2-1-3-7-16)21-15-36-23-11-10-17(25(29)30)13-19(21)23/h1-3,6-7,10-11,13,15,18,20,22H,4-5,8-9,12,14H2,(H2,28,33)(H3,29,30)(H,31,34)(H,32,35)/t18-,20?,22?/m1/s1