Specification
Synonyms
6-((6-((E)-3-(1-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-(((2-cyanoethoxy)(diisopropylamino)phosphaneyl)oxy)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acrylamido)hexyl)carbamoyl)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)
IUPAC Name
[6-[6-[[(E)-3-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoyl]amino]hexylcarbamoyl]-6'-(2,2-dimethylpropanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2,2-dimethylpropanoate
InChI
1S/C79H89N6O17P/c1-49(2)85(50(3)4)103(96-42-20-39-80)102-66-46-69(100-67(66)48-95-78(53-21-16-15-17-22-53,54-25-29-56(93-11)30-26-54)55-27-31-57(94-12)32-28-55)84-47-52(71(88)83-75(84)92)24-38-68(86)81-40-18-13-14-19-41-82-70(87)51-23-35-60-63(43-51)79(101-72(60)89)61-36-33-58(97-73(90)76(5,6)7)44-64(61)99-65-45-59(34-37-62(65)79)98-74(91)77(8,9)10/h15-17,21-38,43-45,47,49-50,66-67,69H,13-14,18-20,40-42,46,48H2,1-12H3,(H,81,86)(H,82,87)(H,83,88,92)/b38-24+/t66-,67+,69+,103?/m0/s1
InChI Key
CADOGPWQRZBAGJ-WTCNENMSSA-N
Appearance
Off-white solid
Isomeric SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)/C=C/C(=O)NCCCCCCNC(=O)C6=CC7=C(C=C6)C(=O)OC78C9=C(C=C(C=C9)OC(=O)C(C)(C)C)OC1=C8C=CC(=C1)OC(=O)C(C)(C)C