2-(carboxymethyl)-3-(16-methylheptadecanoylamino)-2-(trimethylazaniumyl)pentanoate

Systemtic Name: 2-(carboxymethyl)-3-(16-methylheptadecanoylamino)-2-(trimethylazaniumyl)pentanoate Openeye Name: 2-(carboxymethyl)-3-(16-methylheptadecanoylamino)-2-(trimethylammonio)pentanoate CAS Name: 2-(carboxymethyl)-3-[(16-methyl-1-oxoheptadecyl)amino]-2-(trimethylammonio)pentanoate IUPAC Name: 2-(carboxymethyl)-3-(16-methylheptadecanoylamino)-2-(trimethylazaniumyl)pentanoate Traditional Name: 2-(carboxymethyl)-3-(16-methylheptadecanoylamino)-2-(trimethylammonio)valerate Formula: C28H54N2O5 MolecularWeight: 498.73876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)O)(C(=O)[O-])[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CCC(C(CC(=O)O)(C(=O)[O-])[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C28H54N2O5/c1-7-24(28(27(34)35,22-26(32)33)30(4,5)6)29-25(31)21-19-17-15-13-11-9-8-10-12-14-16-18-20-23(2)3/h23-24H,7-22H2,1-6H3,(H2-,29,31,32,33,34,35)