2-(3-phenylpropanoylamino)heptanedioic acid

Systemtic Name: 2-(3-phenylpropanoylamino)heptanedioic acid Openeye Name: 2-(3-phenylpropanoylamino)heptanedioic acid CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]heptanedioic acid IUPAC Name: 2-(3-phenylpropanoylamino)heptanedioic acid Traditional Name: 2-(hydrocinnamoylamino)pimelic acid Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CCCCC(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO5/c18-14(11-10-12-6-2-1-3-7-12)17-13(16(21)22)8-4-5-9-15(19)20/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)(H,19,20)(H,21,22)