methyl 4-[2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetyl]amino]butyric acid methyl ester Formula: C16H30N3O4+ MolecularWeight: 328.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)NCCCC(=O)OC

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C16H29N3O4/c1-12(2)6-9-19-10-8-18-16(22)13(19)11-14(20)17-7-4-5-15(21)23-3/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,22)/p+1/t13-/m1/s1