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

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

Systemtic Name:4-(2-carboxyethyl)-4-(icosylcarbamoylamino)heptanedioic acid
Openeye Name:4-(2-carboxyethyl)-4-(icosylcarbamoylamino)heptanedioic acid
CAS Name:4-(2-carboxyethyl)-4-[[(eicosylamino)-oxomethyl]amino]heptanedioic acid
IUPAC Name:4-(2-carboxyethyl)-4-(icosylcarbamoylamino)heptanedioic acid
Traditional Name:4-(arachylcarbamoylamino)-4-(2-carboxyethyl)pimelic acid
Formula: C31H58N2O7
MolecularWeight: 570.80142
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


InChI

InChI=1S/C31H58N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-32-30(40)33-31(23-20-27(34)35,24-21-28(36)37)25-22-29(38)39/h2-26H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H2,32,33,40)


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