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

Systemtic Name: (2S)-4-methyl-2-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxoethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]pentanoate Traditional Name: (2S)-4-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O3/c1-11(2)9-13(15(20)21)16-14(19)10-18(4)12-5-7-17(3)8-6-12/h11-13H,5-10H2,1-4H3,(H,16,19)(H,20,21)/t13-/m0/s1