3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid

Systemtic Name: 3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid Openeye Name: 3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid CAS Name: 3-[6-[2-carboxyethyl(1-oxotridecyl)amino]hexylamino]propanoic acid IUPAC Name: 3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid Traditional Name: 3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propionic acid Formula: C25H48N2O5 MolecularWeight: 456.65902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N(CCCCCCNCCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)N(CCCCCCNCCC(=O)O)CCC(=O)O

InChI

InChI=1S/C25H48N2O5/c1-2-3-4-5-6-7-8-9-10-13-16-23(28)27(22-18-25(31)32)21-15-12-11-14-19-26-20-17-24(29)30/h26H,2-22H2,1H3,(H,29,30)(H,31,32)