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Anti-Inflammatory Peptide 1

CAT: 0013-GTR19154666-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154666-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Anti-Inflammatory Peptide 1
CAS Number
118850-71-8
Purity
> 98%
Form
Lyophilized
Smiles
CC (C) CC (C (=O) NC (CC (=O) O) C (=O) NC (CO) C (=O) O) NC (=O) C (C (C) C) NC (=O) C (CCCCN) NC (=O) C (CCCCN) NC (=O) C (CCSC) NC (=O) C (CCC (=O) N) NC (=O) C (CCSC) N
Molecular Formula
C45H82N12O14S2
Molecular Weight
1079.33
Storage Conditions
Store lyophilized at -20oC, keep desiccated. In lyophilized form, the chemical is stable for 36 months. In solution, store at -20oC and use within 3 months to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.
Notes
For research use only.

Chemical Information

Antiflammin P1

nonapeptide fragment of uteroglobin has no phospholipase A2 inhibitory & anti-inflammatory activity; RN given refers to all (L)-isomer

CAS Number118850-71-8
PubChem CID164083
IUPAC Name(3S)-3-[[2-[[(2S)-2-[[6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
Molecular FormulaC45H82N12O14S2
Molecular Weight1079.3
XLogP-7.3
Topological Polar Surface Area499
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count19
Rotatable Bond Count40
Heavy Atom Count73
Formal Charge0
Complexity1820
SMILES
CC(C)CC(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(CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)N
InChI
InChI=1S/C45H82N12O14S2/c1-24(2)21-31(42(67)54-32(22-35(60)61)43(68)56-33(23-58)45(70)71)55-44(69)36(25(3)4)57-41(66)28(12-8-10-18-47)52-38(63)27(11-7-9-17-46)51-40(65)30(16-20-73-6)53-39(64)29(13-14-34(49)59)50-37(62)26(48)15-19-72-5/h24-33,36,58H,7-23,46-48H2,1-6H3,(H2,49,59)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,54,67)(H,55,69)(H,56,68)(H,57,66)(H,60,61)(H,70,71)/t26-,27-,28?,29-,30?,31?,32-,33-,36-/m0/s1
InChIKey
XVZUZGWPOCVGGZ-VYAJKLLMSA-N
Chemical Structure
2D Structure
2D structure of Antiflammin P1
CAS: 118850-71-8
CID: 164083
Formula: C45H82N12O14S2
MW: 1079.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1079.3
XLogP3-7.3
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count19
Rotatable Bond Count40
Exact Mass1078.55148768
Monoisotopic Mass1078.55148768
Topological Polar Surface Area499 Ų
Heavy Atom Count73
Formal Charge0
Complexity1820
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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