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

Systemtic Name: 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(2,2,6,6-tetramethylcyclohexyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]-(2,2,6,6-tetramethylcyclohexyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(3-mercapto-1-methoxy-1-oxopropan-2-yl)-(2,2,6,6-tetramethylcyclohexyl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)-(2,2,6,6-tetramethylcyclohexyl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-1-(mercaptomethyl)-2-methoxy-ethyl]-(2,2,6,6-tetramethylcyclohexyl)amino]butyric acid Formula: C18H32N2O5S MolecularWeight: 388.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1N(C(CS)C(=O)OC)C(=O)C(CC(=O)O)N)(C)C)C

Isomeric SMILES

CC1(CCCC(C1N(C(CS)C(=O)OC)C(=O)C(CC(=O)O)N)(C)C)C

InChI

InChI=1S/C18H32N2O5S/c1-17(2)7-6-8-18(3,4)16(17)20(12(10-26)15(24)25-5)14(23)11(19)9-13(21)22/h11-12,16,26H,6-10,19H2,1-5H3,(H,21,22)