(2S,3S)-3-methyl-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[3-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxopropyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]valerate Formula: C16H31N3O3 MolecularWeight: 313.43564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CCN(C)C1CC[NH+](CC1)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CCN(C)C1CC[NH+](CC1)C

InChI

InChI=1S/C16H31N3O3/c1-5-12(2)15(16(21)22)17-14(20)8-11-19(4)13-6-9-18(3)10-7-13/h12-13,15H,5-11H2,1-4H3,(H,17,20)(H,21,22)/t12-,15-/m0/s1