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Also known as: 10329-75-6, Trileucine, Leu-leu-leu, H-leu-leu-leu-oh, L-leucyl-l-leucyl-l-leucine, (s)-2-((s)-2-((s)-2-amino-4-methylpentanamido)-4-methylpentanamido)-4-methylpentanoic acid

Molecular Formula

C₁₈H₃₅N₃O₄

Molecular Weight

357.5 g/mol

InChI Key

DNDWZFHLZVYOGF-KKUMJFAQSA-N

FDA UNII

L6HEL5ZI2V

1 2D Structure

Trileucine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

2.1.2 InChI

InChI=1S/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)/t13-,14-,15-/m0/s1

2.1.3 InChI Key

DNDWZFHLZVYOGF-KKUMJFAQSA-N

2.1.4 Canonical SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N

2.1.5 Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

L6HEL5ZI2V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Leu-leu-leu

2. Trileucine

2.3.2 Depositor-Supplied Synonyms

1. 10329-75-6

2. Trileucine

3. Leu-leu-leu

4. H-leu-leu-leu-oh

5. L-leucyl-l-leucyl-l-leucine

6. (s)-2-((s)-2-((s)-2-amino-4-methylpentanamido)-4-methylpentanamido)-4-methylpentanoic Acid

7. L-leucine, L-leucyl-l-leucyl-

8. L6hel5zi2v

9. Chebi:74541

10. (2s)-2-[[(2s)-2-[[(2s)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic Acid

11. Unii-l6hel5zi2v

12. L-leucine,l-leucyl-l-leucyl-

13. Leucylleucylleucine

14. Tri-l-leucine

15. L-leu-l-leu-l-leu

16. L-leu-l-leu-l-leu-oh

17. Chembl294461

18. Schembl1019806

19. Zinc4556665

20. Mfcd00038309

21. Akos027320356

22. Cs-w011832

23. Hy-w011116

24. L-leucine, N-(n-l-leucyl-l-leucyl)-

25. As-59818

26. E78624

27. 329l756

28. A896547

29. Q27144718

30. (s)-2-((s)-2-((s)-2-amino-4-methylpentanamido)-4-methylpentanamido)-4-methylpentanoicacid

31. (2s)-2-[(2s)-2-[(2s)-2-amino-4-methylpentanamido]-4-methylpentanamido]-4-methylpentanoic Acid

32. (2s)-2-[[(2s)-2-[[(2s)-2-azaniumyl-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₅N₃O₄
Molecular Weight	357.5 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	357.26275661 g/mol
Monoisotopic Mass	357.26275661 g/mol
Topological Polar Surface Area	122 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	450
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1