Please Wait
Applying Filters...
Menu
Xls
2D Structure
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

2D Structure

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 Weight 615.8 g/mol
Molecular Formula C29H53N5O9
XLogP32.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count26
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area237
Heavy Atom Count43
Formal Charge0
Complexity871
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1