methyl 6-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]hexanoate

Systemtic Name: methyl 6-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]hexanoate Openeye Name: methyl 6-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]hexanoate CAS Name: 6-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]hexanoate Traditional Name: 6-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]hexanoic acid methyl ester Formula: C12H22N2O4S MolecularWeight: 290.37908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCSCC(=O)N

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCSCC(=O)N

InChI

InChI=1S/C12H22N2O4S/c1-18-12(17)5-3-2-4-7-14-11(16)6-8-19-9-10(13)15/h2-9H2,1H3,(H2,13,15)(H,14,16)