methyl (2S)-2-[methyl(3-oxidanylidenebutanoyl)amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[methyl(3-oxidanylidenebutanoyl)amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[methyl(3-oxobutanoyl)amino]propanoate CAS Name: (2S)-2-[1,3-dioxobutyl(methyl)amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[methyl(3-oxobutanoyl)amino]propanoate Traditional Name: (2S)-2-[acetoacetyl(methyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C9H15NO5 MolecularWeight: 217.2191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO5/c1-6(12)4-8(13)10(2)7(5-11)9(14)15-3/h7,11H,4-5H2,1-3H3/t7-/m0/s1