(2S)-2-[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[1-(benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[1-[[1-benzothiophen-2-yl(oxo)methyl]amino]cyclohexyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[1-(1-benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[1-(benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]-4-(methylthio)butyric acid Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1(CCCCC1)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1(CCCCC1)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C21H26N2O4S2/c1-28-12-9-15(19(25)26)22-20(27)21(10-5-2-6-11-21)23-18(24)17-13-14-7-3-4-8-16(14)29-17/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t15-/m0/s1