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4-(2-carboxyethyl)-4-(docosanoylamino)heptanedioic acid

4-(2-carboxyethyl)-4-(docosanoylamino)heptanedioic acid

Systemtic Name:4-(2-carboxyethyl)-4-(docosanoylamino)heptanedioic acid
Openeye Name:4-(2-carboxyethyl)-4-(docosanoylamino)heptanedioic acid
CAS Name:4-(2-carboxyethyl)-4-(1-oxodocosylamino)heptanedioic acid
IUPAC Name:4-(2-carboxyethyl)-4-(docosanoylamino)heptanedioic acid
Traditional Name:4-(2-carboxyethyl)-4-(docosanoylamino)pimelic acid
Formula: C32H59NO7
MolecularWeight: 569.81336
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


InChI

InChI=1S/C32H59NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(34)33-32(25-22-29(35)36,26-23-30(37)38)27-24-31(39)40/h2-27H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)


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