3-azanyl-4-[[1-methoxy-3-[2-(4-methylcyclohexyl)propylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-methoxy-3-[2-(4-methylcyclohexyl)propylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-1-[2-(4-methylcyclohexyl)propylsulfanylmethyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-methoxy-3-[2-(4-methylcyclohexyl)propylthio]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-methoxy-3-[2-(4-methylcyclohexyl)propylsulfanyl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-2-methoxy-1-[[2-(4-methylcyclohexyl)propylthio]methyl]ethyl]amino]butyric acid Formula: C18H32N2O5S MolecularWeight: 388.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(C)CSCC(C(=O)OC)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC1CCC(CC1)C(C)CSCC(C(=O)OC)NC(=O)C(CC(=O)O)N

InChI

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