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3-(docosanoylamino)-2-(trimethylazaniumyl)pentanoate

3-(docosanoylamino)-2-(trimethylazaniumyl)pentanoate

Systemtic Name:3-(docosanoylamino)-2-(trimethylazaniumyl)pentanoate
Openeye Name:3-(docosanoylamino)-2-(trimethylammonio)pentanoate
CAS Name:3-(1-oxodocosylamino)-2-(trimethylammonio)pentanoate
IUPAC Name:3-(docosanoylamino)-2-(trimethylazaniumyl)pentanoate
Traditional Name:3-(docosanoylamino)-2-(trimethylammonio)valerate
Formula: C30H60N2O3
MolecularWeight: 496.809
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H60N2O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(33)31-27(7-2)29(30(34)35)32(3,4)5/h27,29H,6-26H2,1-5H3,(H-,31,33,34,35)


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