3-[[4-[(4-cyclohexylphenyl)-(1-phenylethylcarbamoylamino)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylphenyl)-(1-phenylethylcarbamoylamino)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)-(1-phenylethylcarbamoylamino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)-[[oxo-(1-phenylethylamino)methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)-(1-phenylethylcarbamoylamino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylphenyl)-(1-phenylethylcarbamoylamino)methyl]benzoyl]amino]propionic acid Formula: C32H37N3O4 MolecularWeight: 527.65388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)NC(C2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)NC(C2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O

InChI

InChI=1S/C32H37N3O4/c1-22(23-8-4-2-5-9-23)34-32(39)35-30(26-14-12-25(13-15-26)24-10-6-3-7-11-24)27-16-18-28(19-17-27)31(38)33-21-20-29(36)37/h2,4-5,8-9,12-19,22,24,30H,3,6-7,10-11,20-21H2,1H3,(H,33,38)(H,36,37)(H2,34,35,39)