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

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

Systemtic Name:4-(2-carboxyethyl)-4-(hexadecylcarbamoylamino)heptanedioic acid
Openeye Name:4-(2-carboxyethyl)-4-(hexadecylcarbamoylamino)heptanedioic acid
CAS Name:4-(2-carboxyethyl)-4-[[(hexadecylamino)-oxomethyl]amino]heptanedioic acid
IUPAC Name:4-(2-carboxyethyl)-4-(hexadecylcarbamoylamino)heptanedioic acid
Traditional Name:4-(2-carboxyethyl)-4-(cetylcarbamoylamino)pimelic acid
Formula: C27H50N2O7
MolecularWeight: 514.6951
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


InChI

InChI=1S/C27H50N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-26(36)29-27(19-16-23(30)31,20-17-24(32)33)21-18-25(34)35/h2-22H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H2,28,29,36)


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