3-(heptanoylamino)propane-1,1,3-tricarboxylic acid

Systemtic Name: 3-(heptanoylamino)propane-1,1,3-tricarboxylic acid Openeye Name: 3-(heptanoylamino)propane-1,1,3-tricarboxylic acid CAS Name: 3-(1-oxoheptylamino)propane-1,1,3-tricarboxylic acid IUPAC Name: 3-(heptanoylamino)propane-1,1,3-tricarboxylic acid Traditional Name: 3-(enanthylamino)propane-1,1,3-tricarboxylic acid Formula: C13H21NO7 MolecularWeight: 303.30834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CC(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC(CC(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H21NO7/c1-2-3-4-5-6-10(15)14-9(13(20)21)7-8(11(16)17)12(18)19/h8-9H,2-7H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)