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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Palmitoyl tetrapeptide, 90877-69-3, (2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s)-2-(hexadecanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoic acid, Pam-ser-ser-asn-ala, Dtxsid10238312, N-palmitoylseryl-seryl-asparaginyl-alanine

Molecular Formula

C₂₉H₅₃N₅O₉

Molecular Weight

615.8 g/mol

InChI Key

MFYAQFYIDXXKQG-MLCQCVOFSA-N

1 2D Structure

Palmitoyl tetrapeptide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-(hexadecanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoic acid

2.1.2 InChI

InChI=1S/C29H53N5O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(38)32-22(18-35)27(40)34-23(19-36)28(41)33-21(17-24(30)37)26(39)31-20(2)29(42)43/h20-23,35-36H,3-19H2,1-2H3,(H2,30,37)(H,31,39)(H,32,38)(H,33,41)(H,34,40)(H,42,43)/t20-,21-,22-,23-/m0/s1

2.1.3 InChI Key

MFYAQFYIDXXKQG-MLCQCVOFSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Palmitoyl Tetrapeptide

2. Pam-ser-ser-asn-ala

2.2.2 Depositor-Supplied Synonyms

1. Palmitoyl Tetrapeptide

2. 90877-69-3

3. (2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s)-2-(hexadecanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoic Acid

4. Pam-ser-ser-asn-ala

5. Dtxsid10238312

6. N-palmitoylseryl-seryl-asparaginyl-alanine

7. Palmitoyl-l-seryl-l-seryl-l-asparaginyl-l-alanine

8. L-alanine, N-(n2-(n-(n-(1-oxohexadecyl)-l-seryl)-l-seryl)-l-asparaginyl)-, (6r-(6alpha,7beta(z)))-

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₅₃N₅O₉
Molecular Weight	615.8 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	26
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	237
Heavy Atom Count	43
Formal Charge	0
Complexity	871
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1