methyl (2S,3S)-3-methyl-2-(3-oxidanylidenebutanoylamino)pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-(3-oxidanylidenebutanoylamino)pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-(3-oxobutanoylamino)pentanoate CAS Name: (2S,3S)-2-(1,3-dioxobutylamino)-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-(3-oxobutanoylamino)pentanoate Traditional Name: (2S,3S)-2-(acetoacetylamino)-3-methyl-valeric acid methyl ester Formula: C11H19NO4 MolecularWeight: 229.27286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO4/c1-5-7(2)10(11(15)16-4)12-9(14)6-8(3)13/h7,10H,5-6H2,1-4H3,(H,12,14)/t7-,10-/m0/s1