2-[[4-[(16-methoxy-16-oxidanylidene-hexadecyl)amino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-[(16-methoxy-16-oxidanylidene-hexadecyl)amino]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[(16-methoxy-16-oxo-hexadecyl)amino]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[(16-methoxy-16-oxohexadecyl)amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[(16-methoxy-16-oxohexadecyl)amino]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[(16-keto-16-methoxy-hexadecyl)amino]benzoyl]amino]propionic acid Formula: C27H44N2O5 MolecularWeight: 476.64866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCC(=O)OC

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C27H44N2O5/c1-22(27(32)33)29-26(31)23-17-19-24(20-18-23)28-21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-25(30)34-2/h17-20,22,28H,3-16,21H2,1-2H3,(H,29,31)(H,32,33)