3-[[4-(3,5-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)carbonylamino]phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[4-(3,5-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)carbonylamino]phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[4-(3,5-dimethylmorpholin-4-yl)-3-[(4-fluorobenzoyl)amino]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[4-(3,5-dimethyl-4-morpholinyl)-3-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[4-(3,5-dimethylmorpholin-4-yl)-3-[(4-fluorobenzoyl)amino]benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[4-(3,5-dimethylmorpholino)-3-[(4-fluorobenzoyl)amino]benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C30H32FN3O5 MolecularWeight: 533.590583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(N1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)C)NC(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1COCC(N1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)C)NC(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C30H32FN3O5/c1-18-4-6-21(7-5-18)25(15-28(35)36)32-30(38)23-10-13-27(34-19(2)16-39-17-20(34)3)26(14-23)33-29(37)22-8-11-24(31)12-9-22/h4-14,19-20,25H,15-17H2,1-3H3,(H,32,38)(H,33,37)(H,35,36)