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

Systemtic Name: 4-(2-carboxyethyl)-4-(tetradecylcarbamoylamino)heptanedioic acid Openeye Name: 4-(2-carboxyethyl)-4-(tetradecylcarbamoylamino)heptanedioic acid CAS Name: 4-(2-carboxyethyl)-4-[[oxo-(tetradecylamino)methyl]amino]heptanedioic acid IUPAC Name: 4-(2-carboxyethyl)-4-(tetradecylcarbamoylamino)heptanedioic acid Traditional Name: 4-(2-carboxyethyl)-4-(myristylcarbamoylamino)pimelic acid Formula: C25H46N2O7 MolecularWeight: 486.64194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C25H46N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-26-24(34)27-25(17-14-21(28)29,18-15-22(30)31)19-16-23(32)33/h2-20H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,26,27,34)