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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C)SCC(C(=O)OC)NC(=O)C(CC(=O)O)N)C

Isomeric SMILES

CC1CCCC(C1(C)SCC(C(=O)OC)NC(=O)C(CC(=O)O)N)C

InChI

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