1-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-4-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-4-methyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-4-methyl-cyclohexanecarboxylic acid CAS Name: 1-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-4-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-4-methylcyclohexane-1-carboxylic acid Traditional Name: 1-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-4-methyl-cyclohexanecarboxylic acid Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)CCSCC(=O)N

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C13H22N2O4S/c1-9-2-5-13(6-3-9,12(18)19)15-11(17)4-7-20-8-10(14)16/h9H,2-8H2,1H3,(H2,14,16)(H,15,17)(H,18,19)