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CHEBI:43010 - N-({4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid

ChEBI IDCHEBI:43010
ChEBI NameN-({4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid
Stars
ASCII NameN-({4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid
Last Modified3 December 2014
DownloadsMolfile
FormulaC21H23N5O5
Net Charge0
Average Mass425.445
Monoisotopic Mass425.16992
SMILES[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C(=O)c1c([H])c([H])c(C([H])([H])C([H])([H])c2c([H])n([H])c3nc(N([H])[H])nc(C([H])([H])[H])c23)c([H])c1[H]
InChIInChI=1S/C21H23N5O5/c1-11-17-14(10-23-18(17)26-21(22)24-11)7-4-12-2-5-13(6-3-12)19(29)25-15(20(30)31)8-9-16(27)28/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,29)(H,27,28)(H,30,31)(H3,22,23,24,26)/t15-/m0/s1
InChIKeyFICRNCFTTZHHPO-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-({4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid (CHEBI:43010) is a N-acyl-L-glutamic acid (CHEBI:21650)
N-({4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid (CHEBI:43010) is a pyrrolopyrimidine (CHEBI:38670)
Synonyms  Source
N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACIDPDBeChem
N-({4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acidPDBeChem
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