2-[[1-methyl-4-(4-methylpentyl)cyclohexyl]carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[1-methyl-4-(4-methylpentyl)cyclohexyl]carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-isohexyl-1-methyl-cyclohexanecarbonyl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[[1-methyl-4-(4-methylpentyl)cyclohexyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-methyl-4-(4-methylpentyl)cyclohexanecarbonyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(4-isohexyl-1-methyl-cyclohexanecarbonyl)amino]-3-mercapto-propionic acid Formula: C17H31NO3S MolecularWeight: 329.49794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1CCC(CC1)(C)C(=O)NC(CS)C(=O)O

Isomeric SMILES

CC(C)CCCC1CCC(CC1)(C)C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C17H31NO3S/c1-12(2)5-4-6-13-7-9-17(3,10-8-13)16(21)18-14(11-22)15(19)20/h12-14,22H,4-11H2,1-3H3,(H,18,21)(H,19,20)