3-azanyl-4-[(2,6-dimethylcyclohexyl)-(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[(2,6-dimethylcyclohexyl)-(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(2,6-dimethylcyclohexyl)-[2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(2,6-dimethylcyclohexyl)-(3-mercapto-1-methoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(2,6-dimethylcyclohexyl)-(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(2,6-dimethylcyclohexyl)-[2-keto-1-(mercaptomethyl)-2-methoxy-ethyl]amino]-4-keto-butyric acid Formula: C16H28N2O5S MolecularWeight: 360.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1N(C(CS)C(=O)OC)C(=O)C(CC(=O)O)N)C

Isomeric SMILES

CC1CCCC(C1N(C(CS)C(=O)OC)C(=O)C(CC(=O)O)N)C

InChI

InChI=1S/C16H28N2O5S/c1-9-5-4-6-10(2)14(9)18(12(8-24)16(22)23-3)15(21)11(17)7-13(19)20/h9-12,14,24H,4-8,17H2,1-3H3,(H,19,20)