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CAS Registry Number®
155405-81-5
CAS Name
1,5-Dimethyl N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamate
Molecular Formula
C22H25N5O6
Molecular Mass
455.46
Other Names and Identifiers
InChI
InChI=1S/C22H25N5O6/c1-32-16(28)10-9-15(21(31)33-2)25-19(29)13-6-3-12(4-7-13)5-8-14-11-24-18-17(14)20(30)27-22(23)26-18/h3-4,6-7,11,15H,5,8-10H2,1-2H3,(H,25,29)(H4,23,24,26,27,30)/t15-/m0/s1
InChIKey
InChIKey=WWYZIXUUERDREV-HNNXBMFYSA-N
SMILES
C(CC1=CC=C(C(N[C@@H](CCC(OC)=O)C(OC)=O)=O)C=C1)C=2C3=C(NC2)NC(N)=NC3=O
Canonical SMILES
O=C1N=C(N)NC=2NC=C(C12)CCC3=CC=C(C=C3)C(=O)NC(C(=O)OC)CCC(=O)OC
Other Names for this Substance
- L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, 1,5-dimethyl ester
- L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, dimethyl ester
- 1H-Pyrrolo[2,3-d]pyrimidine, L-glutamic acid deriv.
- 1,5-Dimethyl N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamate
Deleted or Replaced CAS Registry Numbers
326598-08-7
