(2S,3S)-2-[[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]amino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[2,2-dimethyl-3-(4-methyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]amino]-3-methyl-valerate Formula: C16H31N3O3 MolecularWeight: 313.43564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C(C)(C)CN1CC[NH+](CC1)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C(C)(C)CN1CC[NH+](CC1)C

InChI

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