methyl (2S,3S)-3-methyl-2-[methyl(3-oxidanylidenebutanoyl)amino]pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-[methyl(3-oxidanylidenebutanoyl)amino]pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-[methyl(3-oxobutanoyl)amino]pentanoate CAS Name: (2S,3S)-2-[1,3-dioxobutyl(methyl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-[methyl(3-oxobutanoyl)amino]pentanoate Traditional Name: (2S,3S)-2-[acetoacetyl(methyl)amino]-3-methyl-valeric acid methyl ester Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N(C)C(=O)CC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)N(C)C(=O)CC(=O)C

InChI

InChI=1S/C12H21NO4/c1-6-8(2)11(12(16)17-5)13(4)10(15)7-9(3)14/h8,11H,6-7H2,1-5H3/t8-,11-/m0/s1