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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 214047-00-4, Matrixyl, (2s,5s,8s,11s,14s)-5,14-bis(4-aminobutyl)-8,11-bis((r)-1-hydroxyethyl)-2-(hydroxymethyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazahentriacontan-1-oic acid, N2-(1-oxohexadecyl)-l-lysyl-l-threonyl-l-threonyl-l-lysyl-l-serine, Palmitoyl pentapeptide-3, Palmitoyl pentapeptide 4

Molecular Formula

C₃₉H₇₅N₇O₁₀

Molecular Weight

802.1 g/mol

InChI Key

WSGCRSMLXFHGRM-DEVHWETNSA-N

FDA UNII

KK181SM5JG

1 2D Structure

Matrixyl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid

2.1.2 InChI

InChI=1S/C39H75N7O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32(50)42-29(21-17-19-24-40)36(52)45-34(28(3)49)38(54)46-33(27(2)48)37(53)43-30(22-18-20-25-41)35(51)44-31(26-47)39(55)56/h27-31,33-34,47-49H,4-26,40-41H2,1-3H3,(H,42,50)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,55,56)/t27-,28-,29+,30+,31+,33+,34+/m1/s1

2.1.3 InChI Key

WSGCRSMLXFHGRM-DEVHWETNSA-N

2.2 Other Identifiers

2.2.1 UNII

KK181SM5JG

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Pal-kttks

2. Palmitoyl-lysyl-threonyl-threonyl-lysyl-serine

2.3.2 Depositor-Supplied Synonyms

1. 214047-00-4

2. Matrixyl

3. (2s,5s,8s,11s,14s)-5,14-bis(4-aminobutyl)-8,11-bis((r)-1-hydroxyethyl)-2-(hydroxymethyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazahentriacontan-1-oic Acid

4. N2-(1-oxohexadecyl)-l-lysyl-l-threonyl-l-threonyl-l-lysyl-l-serine

5. Palmitoyl Pentapeptide-3

6. Palmitoyl Pentapeptide 4

7. Palmitoyl Pentapeptide

8. (2s)-2-[[(2s)-6-amino-2-[[(2s,3r)-2-[[(2s,3r)-2-[[(2s)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic Acid

9. Pal-kttks

10. Oristar Popp

11. Mfcd09842091

12. Lipopentapeptide 3

13. C39h75n7o10

14. Palmitoyl Pentapeptide?

15. Wsgcrsmlxfhgrm-devhwetnsa-n

16. Pal-lys-thr-thr-lys-ser

17. Kk181sm5jg

18. Schembl352420

19. Chembl451881

20. Hy-p0045

21. Akos027326911

22. As-72359

23. Cs-0005656

24. C74034

25. A902886

26. (2s)-2-[(2s)-6-amino-2-[(2s,3r)-2-[(2s,3r)-2-[(2s)-6-amino-2-hexadecanamidohexanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]hexanamido]-3-hydroxypropanoic Acid

27. (2s,5s,8s,11s,14s)-5,14-bis(4-aminobutyl)-8,11-bis((r)-1-hydroxyethyl)-2-(hydroxymethyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazahentriacontan-1-oic Acid (palmitoyl-lys-thr-thr-lys-ser-oh)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₃₉H₇₅N₇O₁₀
Molecular Weight	802.1 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	35
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	296
Heavy Atom Count	56
Formal Charge	0
Complexity	1130
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1