Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| December 11th, 2008 |
35 |
Yes
|
Other Names:
(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate
(S)-Diethyl2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate4-methylbenzenesulfonate
MFCD09833741
MFCD12911689
N-[4-[2- ethyl]benzoyl]-L-glutamicacid1,5-diethylester
N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-5-yl) ethyl]benzoyl]l-glutamic acid,1.5-diethyl ester,4-methylbenzenefulfonate(1:1)
N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester 4-methylbenzenesulfonate
N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamicacid1,5-diethylester
N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-glutamic acid, 1,5-diethyl ester, 4-methylbenzenesulfonate (1:1)
N/A
NA
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Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
1.60 |
10.62 |
-32.93 |
5 |
11 |
0 |
169 |
483.525 |
13 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
