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

Systemtic Name: 4-(2-carboxyethyl)-4-(docosylcarbamoylamino)heptanedioic acid Openeye Name: 4-(2-carboxyethyl)-4-(docosylcarbamoylamino)heptanedioic acid CAS Name: 4-(2-carboxyethyl)-4-[[(docosylamino)-oxomethyl]amino]heptanedioic acid IUPAC Name: 4-(2-carboxyethyl)-4-(docosylcarbamoylamino)heptanedioic acid Traditional Name: 4-(behenylcarbamoylamino)-4-(2-carboxyethyl)pimelic acid Formula: C33H62N2O7 MolecularWeight: 598.85458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C33H62N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-34-32(42)35-33(25-22-29(36)37,26-23-30(38)39)27-24-31(40)41/h2-28H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H2,34,35,42)