Formula |
C21H23N5O5 |
IUPAC Name |
(2s)-2-[[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid |
Molecular Mass |
425.438 g·mol−1 |
Heat of Formation |
-728.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.51 ± 1.08 D |
Volume |
497.08 Å 3 |
Surface Area |
434.89 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
-0.88 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[4-[2-(2-amino-4-methyl-7h-pyrrolo[5,4-d]pyrimidin-5-yl)ethyl]benzoyl]amino]glutaric acid
- (2s)-2-[[4-[2-(2-amino-4-methyl-7h-pyrrolo[5,4-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioic acid
- (2s)-2-[[[4-[2-(2-amino-4-methyl-7h-pyrrolo[5,4-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
- gpb
- n-[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid
- n-{2-amino-4-methyl[(pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamic acid
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InChIKey |
FICRNCFTTZHHPO-HNNXBMFYSA-N |
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Elements |
H
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