Catalog Number:
AG003A1P
Chemical Name:
L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt, heptahydrate
CAS Number:
357166-29-1
Molecular Formula:
C20H33N5Na2O13
Molecular Weight:
597.4813
MDL Number:
MFCD09263275
IUPAC Name:
disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;heptahydrate
InChI:
InChI=1S/C20H21N5O6.2Na.7H2O/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1
InChI Key:
QJVSMHJWAOSBMD-MYXYZBIASA-L
SMILES:
[O-]C(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N.[Na+].[Na+].O.O.O.O.O.O.O
UNII:
9T47E4OM16
