5-azanyl-2-carboxy-2-[dimethyl(2-oxidanylidenetridecyl)azaniumyl]pentanoate

Systemtic Name: 5-azanyl-2-carboxy-2-[dimethyl(2-oxidanylidenetridecyl)azaniumyl]pentanoate Openeye Name: 5-amino-2-carboxy-2-[dimethyl(2-oxotridecyl)ammonio]pentanoate CAS Name: 5-amino-2-carboxy-2-[dimethyl(2-oxotridecyl)ammonio]pentanoate IUPAC Name: 5-amino-2-carboxy-2-[dimethyl(2-oxotridecyl)azaniumyl]pentanoate Traditional Name: 5-amino-2-carboxy-2-[2-ketotridecyl(dimethyl)ammonio]valerate Formula: C21H40N2O5 MolecularWeight: 400.5527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C[N+](C)(C)C(CCCN)(C(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)C[N+](C)(C)C(CCCN)(C(=O)O)C(=O)[O-]

InChI

InChI=1S/C21H40N2O5/c1-4-5-6-7-8-9-10-11-12-14-18(24)17-23(2,3)21(19(25)26,20(27)28)15-13-16-22/h4-17,22H2,1-3H3,(H-,25,26,27,28)