2XB
N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid
Find entries where: 2XB
is present as a standalone ligand in 3 entries
Chemical Component Summary | |
---|---|
Name | N-{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 |
Formula | C19 H19 N5 O6 |
Molecular Weight | 413.384 |
Type | NON-POLYMER |
Isomeric SMILES | c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
InChI | InChI=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 |
InChIKey | VDHBMZRBPMTLGE-LBPRGKRZSA-N |
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 49 |
Chiral Atom Count | 1 |
Bond Count | 51 |
Aromatic Bond Count | 16 |
Related Resource References
Resource Name | Reference |
---|---|
Pharos | CHEMBL2426247 |
PubChem | 135427303, 11112422 |
ChEMBL | CHEMBL2426247 |