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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OC)NC(=O)CCSCC(=O)N

Isomeric SMILES

CCCC(C)(C(=O)OC)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C12H22N2O4S/c1-4-6-12(2,11(17)18-3)14-10(16)5-7-19-8-9(13)15/h4-8H2,1-3H3,(H2,13,15)(H,14,16)