3-[[4-[[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethyloxy)phenyl]carbamoyl-[4-(cyclohexen-1-yl)phenyl]amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[[4-[[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethyloxy)phenyl]carbamoyl-[4-(cyclohexen-1-yl)phenyl]amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[4-[[N-[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethoxy)phenyl]carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[4-[[N-[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethoxy)anilino]-oxomethyl]-4-(1-cyclohexenyl)anilino]methyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[4-[[N-[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethoxy)phenyl]carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[4-[[N-[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethoxy)phenyl]carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]benzoyl]amino]-2-hydroxy-propionic acid Formula: C38H33F3N4O7 MolecularWeight: 714.68643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCC(C(=O)O)O)C(=O)NC4=CC(=C(C=C4)OC(F)(F)F)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCC(C(=O)O)O)C(=O)NC4=CC(=C(C=C4)OC(F)(F)F)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C38H33F3N4O7/c39-38(40,41)52-32-19-16-27(20-29(32)35-44-30-8-4-5-9-33(30)51-35)43-37(50)45(28-17-14-25(15-18-28)24-6-2-1-3-7-24)22-23-10-12-26(13-11-23)34(47)42-21-31(46)36(48)49/h4-6,8-20,31,46H,1-3,7,21-22H2,(H,42,47)(H,43,50)(H,48,49)