4-azanyl-3-(carboxymethylamino)-3-dodecanoyl-hexanedioic acid

Systemtic Name: 4-azanyl-3-(carboxymethylamino)-3-dodecanoyl-hexanedioic acid Openeye Name: 4-amino-3-(carboxymethylamino)-3-dodecanoyl-hexanedioic acid CAS Name: 4-amino-3-(carboxymethylamino)-3-(1-oxododecyl)hexanedioic acid IUPAC Name: 4-amino-3-(carboxymethylamino)-3-dodecanoylhexanedioic acid Traditional Name: 4-amino-3-(carboxymethylamino)-3-lauroyl-adipic acid Formula: C20H36N2O7 MolecularWeight: 416.50904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(CC(=O)O)(C(CC(=O)O)N)NCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C(CC(=O)O)(C(CC(=O)O)N)NCC(=O)O

InChI

InChI=1S/C20H36N2O7/c1-2-3-4-5-6-7-8-9-10-11-16(23)20(13-18(26)27,22-14-19(28)29)15(21)12-17(24)25/h15,22H,2-14,21H2,1H3,(H,24,25)(H,26,27)(H,28,29)