(2S)-3-methyl-2-[3-(4-oxidanylidenepiperidin-1-yl)propanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[3-(4-oxidanylidenepiperidin-1-yl)propanoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[3-(4-oxo-1-piperidyl)propanoylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[1-oxo-3-(4-oxo-1-piperidinyl)propyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[3-(4-oxopiperidin-1-yl)propanoylamino]butanoic acid Traditional Name: (2S)-2-[3-(4-ketopiperidino)propanoylamino]-3-methyl-butyric acid Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCN1CCC(=O)CC1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CCN1CCC(=O)CC1

InChI

InChI=1S/C13H22N2O4/c1-9(2)12(13(18)19)14-11(17)5-8-15-6-3-10(16)4-7-15/h9,12H,3-8H2,1-2H3,(H,14,17)(H,18,19)/t12-/m0/s1