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Octapeptide-2

CAT: 0931-T80204-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T80204-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1374396-34-5
Target
Reactive Oxygen Species
Related Pathways
Immunology/Inflammation, NF-κB, Metabolism
Bioactivity
Octapeptide-2, a bioactive peptide, is recognized for its hair growth-promoting properties and is commonly used as a cosmetic ingredient [1].
Smiles
[C@H](CC1=CN=CN1)(C(N[C@H](C(N[C@H](C(N[C@@H](CCSC)C(O)=O)=O)[C@@H](C)C)=O)CCC(O)=O)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]([C@@H](C)O)N)=O)C)=O)CCC(O)=O)=O)CCC(O)=O)=O
Molecular Formula
C38H60N10O16S
Molecular Weight
945.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Octapeptide 2
CAS Number1374396-34-5
PubChem CID163285883
IUPAC Name(4S)-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC38H60N10O16S
Molecular Weight945.0
XLogP-5.6
Topological Polar Surface Area453
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count31
Heavy Atom Count65
Formal Charge0
Complexity1710
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)O)N)O
InChI
InChI=1S/C38H60N10O16S/c1-17(2)30(37(62)46-24(38(63)64)12-13-65-5)48-34(59)23(8-11-28(54)55)45-35(60)25(14-20-15-40-16-41-20)47-33(58)22(7-10-27(52)53)44-32(57)21(6-9-26(50)51)43-31(56)18(3)42-36(61)29(39)19(4)49/h15-19,21-25,29-30,49H,6-14,39H2,1-5H3,(H,40,41)(H,42,61)(H,43,56)(H,44,57)(H,45,60)(H,46,62)(H,47,58)(H,48,59)(H,50,51)(H,52,53)(H,54,55)(H,63,64)/t18-,19+,21-,22-,23-,24-,25-,29-,30-/m0/s1
InChIKey
IZUXSDLDQJZDFW-BNJNSGOPSA-N
Chemical Structure
2D Structure
2D structure of Octapeptide 2
CAS: 1374396-34-5
CID: 163285883
Formula: C38H60N10O16S
MW: 945.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight945.0
XLogP3-5.6
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count31
Exact Mass944.39094704
Monoisotopic Mass944.39094704
Topological Polar Surface Area453 Ų
Heavy Atom Count65
Formal Charge0
Complexity1710
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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