3-[[4-[3-ethyl-1-[(4-propan-2-ylphenyl)carbamoylamino]heptyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[3-ethyl-1-[(4-propan-2-ylphenyl)carbamoylamino]heptyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[3-ethyl-1-[(4-isopropylphenyl)carbamoylamino]heptyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[3-ethyl-1-[[oxo-(4-propan-2-ylanilino)methyl]amino]heptyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[3-ethyl-1-[(4-propan-2-ylphenyl)carbamoylamino]heptyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[3-ethyl-1-(p-cumenylcarbamoylamino)heptyl]benzoyl]amino]propionic acid Formula: C29H41N3O4 MolecularWeight: 495.65354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)NC(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCC(CC)CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)NC(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C29H41N3O4/c1-5-7-8-21(6-2)19-26(32-29(36)31-25-15-13-22(14-16-25)20(3)4)23-9-11-24(12-10-23)28(35)30-18-17-27(33)34/h9-16,20-21,26H,5-8,17-19H2,1-4H3,(H,30,35)(H,33,34)(H2,31,32,36)