Catalog Number:
AG008Z9H
Chemical Name:
C3
CAS Number:
108321-21-7
Molecular Formula:
C24H39LiN7O17P3S
Molecular Weight:
829.5304
MDL Number:
MFCD00079248
IUPAC Name:
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] propanethioate;lithium
InChI:
InChI=1S/C24H40N7O17P3S.Li/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31;/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39);
InChI Key:
CXNLEKKSVXVZAF-UHFFFAOYSA-N
SMILES:
CCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)[O-])O)n1cnc2c1ncnc2N)O)O)(C)C)O.[Li+]
