2-acetamido-3-(4-ethoxy-4-oxidanylidene-butan-2-yl)sulfanyl-propanoic acid; N-cyclohexylcyclohexanamine

Systemtic Name: 2-acetamido-3-(4-ethoxy-4-oxidanylidene-butan-2-yl)sulfanyl-propanoic acid; N-cyclohexylcyclohexanamine Openeye Name: 2-acetamido-3-(3-ethoxy-1-methyl-3-oxo-propyl)sulfanyl-propanoic acid; N-cyclohexylcyclohexanamine CAS Name: 2-acetamido-3-[(4-ethoxy-4-oxobutan-2-yl)thio]propanoic acid; N-cyclohexylcyclohexanamine IUPAC Name: 2-acetamido-3-(4-ethoxy-4-oxobutan-2-yl)sulfanylpropanoic acid; N-cyclohexylcyclohexanamine Traditional Name: 2-acetamido-3-[(3-ethoxy-3-keto-1-methyl-propyl)thio]propionic acid; dicyclohexylamine Formula: C23H42N2O5S MolecularWeight: 458.65498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)SCC(C(=O)O)NC(=O)C.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CCOC(=O)CC(C)SCC(C(=O)O)NC(=O)C.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C12H23N.C11H19NO5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4-17-10(14)5-7(2)18-6-9(11(15)16)12-8(3)13/h11-13H,1-10H2;7,9H,4-6H2,1-3H3,(H,12,13)(H,15,16)