化学式

CAS号

IUPAC Name

丙烷-2-基(2S)-2-[[[(3aR,4R,6R,6aR)-4-(2,6-diaminopurin-9-基)-3a-甲基-2-氧代-6,6a-二氢-4H-呋喃并[3,4-d][1,3]二氧杂环戊烯-6-基]甲氧基-[2-(3-氧代-3-丙烷-2-yloxypropyl)苯氧基]phosphoryl]氨基]丙酸酯 propan-2-yl (2S)-2-[[[(3aR,4R,6R,6aR)-4-(2,6-diaminopurin-9-yl)-3a-methyl-2-oxo-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methoxy-[2-(3-oxo-3-propan-2-yloxypropyl)phenoxy]phosphoryl]amino]propanoate

InChI

InChI=1S/C30H40N7O11P/c1-15(2)43-21(38)12-11-18-9-7-8-10-19(18)48-49(41,36-17(5)26(39)44-16(3)4)42-13-20-23-30(6,47-29(40)46-23)27(45-20)37-14-33-22-24(31)34-28(32)35-25(22)37/h7-10,14-17,20,23,27H,11-13H2,1-6H3,(H,36,41)(H4,31,32,34,35)/t17-,20+,23+,27+,30+,49?/m0/s1

InChI Key

NNSKINPDWQDLIG-VFKRWUIXSA-N

Canonical SMILES

CC(C)OC(=O)CCC1=CC=CC=C1OP(=O)(NC(C)C(=O)OC(C)C)OCC2C3C(C(O2)N4C=NC5=C(N=C(N=C54)N)N)(OC(=O)O3)C

别名

• SCHEMBL15900245
• Isopropyl 3-(2-(((((3aR,4R,6R,6aR)-6-(2,6-diamino-9H-purin-9-yl)-6a-methyl-2-oxotetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methoxy)(((S)-1-isopropoxy-1-oxopropan-2-yl)amino)phosphoryl)oxy)phenyl)propanoate
• propan-2-yl (2S)-2-[[[(3aR,4R,6R,6aR)-4-(2,6-diaminopurin-9-yl)-3a-methyl-2-oxo-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methoxy-[2-(3-oxo-3-propan-2-yloxypropyl)phenoxy]phosphoryl]amino]propanoate