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Anti-Inflammatory Peptide 3

CAT: 1410-M42026Size: 1 EachDry Ice: NoHazardous: No
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Description
Antiflammin 3 is an anti-inflammatory peptide 3 (MQMNKVLDS) .
CAS Number
118850-73-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1065.28
Molecular Formula
C43H76N12O15S2
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Anti-Inflammatory Peptide 3
CAS Number118850-73-0
PubChem CID25230220
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
Molecular FormulaC43H76N12O15S2
Molecular Weight1065.3
XLogP-8.6
Topological Polar Surface Area516
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count19
Rotatable Bond Count38
Heavy Atom Count72
Formal Charge0
Complexity1860
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)N
InChI
InChI=1S/C43H76N12O15S2/c1-21(2)17-27(39(65)52-29(19-33(59)60)41(67)54-30(20-56)43(69)70)53-42(68)34(22(3)4)55-38(64)24(9-7-8-14-44)49-40(66)28(18-32(47)58)51-37(63)26(13-16-72-6)50-36(62)25(10-11-31(46)57)48-35(61)23(45)12-15-71-5/h21-30,34,56H,7-20,44-45H2,1-6H3,(H2,46,57)(H2,47,58)(H,48,61)(H,49,66)(H,50,62)(H,51,63)(H,52,65)(H,53,68)(H,54,67)(H,55,64)(H,59,60)(H,69,70)/t23-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1
InChIKey
GYNQDZNXDPVSHD-AKLVUHSOSA-N
Chemical Structure
2D Structure
2D structure of Anti-Inflammatory Peptide 3
CAS: 118850-73-0
CID: 25230220
Formula: C43H76N12O15S2
MW: 1065.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1065.3
XLogP3-8.6
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count19
Rotatable Bond Count38
Exact Mass1064.49945211
Monoisotopic Mass1064.49945211
Topological Polar Surface Area516 Ų
Heavy Atom Count72
Formal Charge0
Complexity1860
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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