(2S)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(3R,5R)-3,5-dimethyl-1-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-(methylthio)butyrate Formula: C13H23N2O3S- MolecularWeight: 287.39832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)NC(CCSC)C(=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)N[C@@H](CCSC)C(=O)[O-])C

InChI

InChI=1S/C13H24N2O3S/c1-9-6-10(2)8-15(7-9)13(18)14-11(12(16)17)4-5-19-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/p-1/t9-,10-,11+/m1/s1