165049-28-5 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 165049-28-5, 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-glutamic acid, 1215090-73-5, C31h37n5o9s, 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
Molecular Formula
C31H37N5O9S
Molecular Weight
655.7  g/mol
InChI Key
UANBXQTVHOIGGQ-LMOVPXPDSA-N

165049-28-5
1 2D Structure

165049-28-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;4-methylbenzenesulfonic acid
2.1.2 InChI
InChI=1S/C24H29N5O6.C7H8O3S/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32);2-5H,1H3,(H,8,9,10)/t17-;/m0./s1
2.1.3 InChI Key
UANBXQTVHOIGGQ-LMOVPXPDSA-N
2.1.4 Canonical SMILES
CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)NC(=N3)N.CC1=CC=C(C=C1)S(=O)(=O)O
2.1.5 Isomeric SMILES
CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)NC(=N3)N.CC1=CC=C(C=C1)S(=O)(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 165049-28-5

2. 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

3. N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]l-glutamic Acid

4. 1215090-73-5

5. C31h37n5o9s

6. 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

7. Schembl207059

8. Dtxsid80704872

9. Bcp09339

10. Mfcd12911689

11. Akos015896978

12. Ac-8121

13. Ds-16382

14. Cs-0151537

15. A24994

16. D70577

17. (s)-diethyl2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate4-methylbenzenesulfonate

18. 4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl-l-glutamic Acid Diethyl Ester P-toluenesulfonate Salt

19. 4-methylbenzene-1-sulfonic Acid--diethyl N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamate (1/1)

20. Diethyl (2s)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;4-methylbenzenesulfonic Acid

21. N-(4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl)-l-glutamic Acid Diethyl Ester P-toluenesulfonic Acid Salt

22. N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-l-glutamic Acid Diethylester P-toluenesulfonic Acid Salt

23. N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]l-glutamic Acid Diethylester P-toluenesulfonic Acid Salt

24. 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)

2.3 Create Date
2019-01-17
3 Chemical and Physical Properties
Molecular Weight 655.7 g/mol
Molecular Formula C31H37N5O9S
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area228
Heavy Atom Count46
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty