(2S)-2-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-4-(methylthio)butyrate Formula: C14H26N2O3S MolecularWeight: 302.43284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C14H26N2O3S/c1-10-4-7-16(8-5-10)11(2)13(17)15-12(14(18)19)6-9-20-3/h10-12H,4-9H2,1-3H3,(H,15,17)(H,18,19)/t11-,12-/m0/s1