methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-[4-(trifluoromethyl)phenoxy]phosphoryl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-[4-(trifluoromethyl)phenoxy]phosphoryl]amino]propanoate Openeye Name: methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[4-(trifluoromethyl)phenoxy]phosphoryl]amino]propanoate CAS Name: (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-[4-(trifluoromethyl)phenoxy]phosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-[4-(trifluoromethyl)phenoxy]phosphoryl]amino]propanoate Traditional Name: (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-diketo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[4-(trifluoromethyl)phenoxy]phosphoryl]amino]propionic acid methyl ester Formula: C22H24BrF3N3O9P MolecularWeight: 642.313631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C=CBr)O)OC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)/C=C/Br)O)OC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H24BrF3N3O9P/c1-12(20(32)35-2)28-39(34,38-15-5-3-14(4-6-15)22(24,25)26)36-11-17-16(30)9-18(37-17)29-10-13(7-8-23)19(31)27-21(29)33/h3-8,10,12,16-18,30H,9,11H2,1-2H3,(H,28,34)(H,27,31,33)/b8-7+/t12-,16-,17+,18+,39?/m0/s1