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

Systemtic Name: (2S,3S)-3-methyl-2-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxoethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]valerate Formula: C15H29N3O3 MolecularWeight: 299.40906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O3/c1-5-11(2)14(15(20)21)16-13(19)10-18(4)12-6-8-17(3)9-7-12/h11-12,14H,5-10H2,1-4H3,(H,16,19)(H,20,21)/t11-,14-/m0/s1