(2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxidanylidenepiperidin-1-yl)propanoyl]amino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxidanylidenepiperidin-1-yl)propanoyl]amino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxo-1-piperidyl)propanoyl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[(2S)-1-oxo-2-(4-oxo-1-piperidinyl)propyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxopiperidin-1-yl)propanoyl]amino]butanoic acid Traditional Name: (2S)-2-[[(2S)-2-(4-ketopiperidino)propanoyl]amino]-4-(methylthio)butyric acid Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)N1CCC(=O)CC1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N1CCC(=O)CC1

InChI

InChI=1S/C13H22N2O4S/c1-9(15-6-3-10(16)4-7-15)12(17)14-11(13(18)19)5-8-20-2/h9,11H,3-8H2,1-2H3,(H,14,17)(H,18,19)/t9-,11-/m0/s1