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

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

Systemtic Name:4-(2-carboxyethyl)-4-(octadecylcarbamoylamino)heptanedioic acid
Openeye Name:4-(2-carboxyethyl)-4-(octadecylcarbamoylamino)heptanedioic acid
CAS Name:4-(2-carboxyethyl)-4-[[(octadecylamino)-oxomethyl]amino]heptanedioic acid
IUPAC Name:4-(2-carboxyethyl)-4-(octadecylcarbamoylamino)heptanedioic acid
Traditional Name:4-(2-carboxyethyl)-4-(stearylcarbamoylamino)pimelic acid
Formula: C29H54N2O7
MolecularWeight: 542.74826
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


InChI

InChI=1S/C29H54N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-28(38)31-29(21-18-25(32)33,22-19-26(34)35)23-20-27(36)37/h2-24H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H2,30,31,38)


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