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CHEBI:43831 - (2S)-2-[({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid
| Formula | C20H21N9O4 |
| Net Charge | 0 |
| Average Mass | 451.447 |
| Monoisotopic Mass | 451.17165 |
| SMILES | [H]OC(=O)[C@@]([H])(N([H])C(=O)c1c([H])c([H])c(C([H])([H])C([H])([H])c2c([H])n([H])c3nc(N([H])[H])n([H])c(=O)c23)c([H])c1[H])C([H])([H])C([H])([H])c1nnn([H])n1 |
| InChI | InChI=1S/C20H21N9O4/c21-20-24-16-15(18(31)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(30)23-13(19(32)33)7-8-14-26-28-29-27-14/h1-2,4-5,9,13H,3,6-8H2,(H,23,30)(H,32,33)(H,26,27,28,29)(H4,21,22,24,25,31)/t13-/m0/s1 |
| InChIKey | MXAFDBCLWLMXSI-ZDUSSCGKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S)-2-[({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid (CHEBI:43831) has functional parent butyric acid (CHEBI:30772) |
| (2S)-2-[({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid (CHEBI:43831) is a monocarboxylic acid (CHEBI:25384) |
| (2S)-2-[({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid (CHEBI:43831) is a pyrrolopyrimidine (CHEBI:38670) |
| Synonyms | Source |
|---|---|
| 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID | PDBeChem |
| (2S)-2-[({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid | PDBeChem |
| Manual Xrefs | Databases |
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| LY3 | PDBeChem |