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

Systemtic Name: (2S)-4-methylsulfanyl-2-[[1-(1H-pyrrol-2-ylcarbonylamino)cyclohexyl]carbonylamino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[1-(1H-pyrrole-2-carbonylamino)cyclohexanecarbonyl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[oxo-[1-[[oxo(1H-pyrrol-2-yl)methyl]amino]cyclohexyl]methyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[1-(1H-pyrrole-2-carbonylamino)cyclohexanecarbonyl]amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[1-(1H-pyrrole-2-carbonylamino)cyclohexanecarbonyl]amino]butyric acid Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1(CCCCC1)NC(=O)C2=CC=CN2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1(CCCCC1)NC(=O)C2=CC=CN2

InChI

InChI=1S/C17H25N3O4S/c1-25-11-7-13(15(22)23)19-16(24)17(8-3-2-4-9-17)20-14(21)12-6-5-10-18-12/h5-6,10,13,18H,2-4,7-9,11H2,1H3,(H,19,24)(H,20,21)(H,22,23)/t13-/m0/s1