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

Systemtic Name: 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(2,2,6-trimethylcyclohexyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]-(2,2,6-trimethylcyclohexyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(3-mercapto-1-methoxy-1-oxopropan-2-yl)-(2,2,6-trimethylcyclohexyl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)-(2,2,6-trimethylcyclohexyl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-1-(mercaptomethyl)-2-methoxy-ethyl]-(2,2,6-trimethylcyclohexyl)amino]butyric acid Formula: C17H30N2O5S MolecularWeight: 374.4955

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O5S/c1-10-6-5-7-17(2,3)14(10)19(12(9-25)16(23)24-4)15(22)11(18)8-13(20)21/h10-12,14,25H,5-9,18H2,1-4H3,(H,20,21)