Chemical Component Summary

NameN-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid
Identifiers(2S)-2-[[4-[(2-azanyl-4-oxidanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]carbonylamino]pentanedioic acid
FormulaC19 H19 N5 O6
Molecular Weight413.384
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C19H19N5O6/c20-19-23-15-14(17(28)24-19)11(8-21-15)7-9-1-3-10(4-2-9)16(27)22-12(18(29)30)5-6-13(25)26/h1-4,8,12H,5-7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t12-/m0/s1
InChIKeyVDHBMZRBPMTLGE-LBPRGKRZSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count51
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL2426247
PubChem 135427303, 11112422
ChEMBL CHEMBL2426247