Catalog Number:
AG001AJ3
Chemical Name:
L-Alanine, N-[(S)-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]phenoxyphosphinyl]-, 1-methylethyl ester, (2E)-2-butenedioate (2:1)
CAS Number:
1392275-56-7
Molecular Formula:
C46H62N12O14P2
Molecular Weight:
1069.0040
MDL Number:
MFCD30534429
IUPAC Name:
(E)-but-2-enedioic acid;propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
InChI:
InChI=1S/2C21H29N6O5P.C4H4O4/c2*1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27;5-3(6)1-2-4(7)8/h2*5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*15-,16+,33+;/m11./s1
InChI Key:
SVUJNSGGPUCLQZ-FQQAACOVSA-N
SMILES:
C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(N[C@H](C(=O)OC(C)C)C)Oc1ccccc1.C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(N[C@H](C(=O)OC(C)C)C)Oc1ccccc1.OC(=O)/C=C/C(=O)O
