3-[[4-[(4-cyclohexylphenyl)-[[2-(1,2,4-oxadiazol-5-yl)-3-propan-2-yl-phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylphenyl)-[[2-(1,2,4-oxadiazol-5-yl)-3-propan-2-yl-phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-isopropyl-2-(1,2,4-oxadiazol-5-yl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)-[[[2-(1,2,4-oxadiazol-5-yl)-3-propan-2-ylanilino]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)-[[2-(1,2,4-oxadiazol-5-yl)-3-propan-2-ylphenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-isopropyl-2-(1,2,4-oxadiazol-5-yl)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C35H39N5O5 MolecularWeight: 609.71466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)NC(=O)NC(C2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=NC=NO5

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)NC(=O)NC(C2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=NC=NO5

InChI

InChI=1S/C35H39N5O5/c1-22(2)28-9-6-10-29(31(28)34-37-21-38-45-34)39-35(44)40-32(25-13-11-24(12-14-25)23-7-4-3-5-8-23)26-15-17-27(18-16-26)33(43)36-20-19-30(41)42/h6,9-18,21-23,32H,3-5,7-8,19-20H2,1-2H3,(H,36,43)(H,41,42)(H2,39,40,44)