ethyl 3-[[(1R,5S)-6-[(2-chlorophenyl)methyl-cyclopropyl-carbamoyl]-7-[4-[3-[2,3,6-tris(fluoranyl)phenoxy]propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-en-9-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[(1R,5S)-6-[(2-chlorophenyl)methyl-cyclopropyl-carbamoyl]-7-[4-[3-[2,3,6-tris(fluoranyl)phenoxy]propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-en-9-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[(1R,5S)-6-[(2-chlorophenyl)methyl-cyclopropyl-carbamoyl]-7-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-9-carbonyl]amino]propanoate CAS Name: 3-[[[(1R,5S)-6-[[(2-chlorophenyl)methyl-cyclopropylamino]-oxomethyl]-7-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-en-9-yl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(1R,5S)-6-[(2-chlorophenyl)methyl-cyclopropylcarbamoyl]-7-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-9-carbonyl]amino]propanoate Traditional Name: 3-[[(1R,5S)-6-[(2-chlorobenzyl)-cyclopropyl-carbamoyl]-7-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-9-carbonyl]amino]propionic acid ethyl ester Formula: C39H42ClF3N4O5 MolecularWeight: 739.22279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N1C2CC(=C(C1CNC2)C(=O)N(CC3=CC=CC=C3Cl)C4CC4)C5=CC=C(C=C5)CCCOC6=C(C=CC(=C6F)F)F

Isomeric SMILES

CCOC(=O)CCNC(=O)N1[C@@H]2CC(=C([C@H]1CNC2)C(=O)N(CC3=CC=CC=C3Cl)C4CC4)C5=CC=C(C=C5)CCCOC6=C(C=CC(=C6F)F)F

InChI

InChI=1S/C39H42ClF3N4O5/c1-2-51-34(48)17-18-45-39(50)47-28-20-29(25-11-9-24(10-12-25)6-5-19-52-37-32(42)16-15-31(41)36(37)43)35(33(47)22-44-21-28)38(49)46(27-13-14-27)23-26-7-3-4-8-30(26)40/h3-4,7-12,15-16,27-28,33,44H,2,5-6,13-14,17-23H2,1H3,(H,45,50)/t28-,33-/m1/s1