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Acetyl Octapeptide-3

CAT: 0399-CSB-DT1696Size: 1 gDry Ice: NoHazardous: No
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CAT#:0399-CSB-DT1696Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
868844-74-0
Sequence
Ac-Glu-Glu-Met-Gln-Arg-Arg-Ala-Asp-NH2
Abbreviation Sequence
Ac-EEMQRRAD-NH2
Purity
0.98
Form
Lyophilized powder
Molecular Formula
C41H70O16N16S1
Molecular Weight
1075.157 Da
Shipping Conditions
In general, peptides are provided as lyophilized powder and are shipped with blue ice unless customers require otherwise.
Storage Conditions
Store at -20°C upon receipt, aliquoting is necessary for mutiple use. Avoid repeated freeze-thaw cycles. Short term: 4 °C, one week from the date of receipt. Long term: -20 °C to -80 °C, 6 months from the date of receipt.
Shelf Life
The shelf life is related to many factors, storage state, storage temperature and the stability of the peptide itself. Generally, the shelf life of lyophilized form is 6 months at -20°C/-80°C from the date of receipt.

Chemical Information

Acetyl octapeptide-3

See also: Acetyl octapeptide-3 (annotation moved to).

CAS Number868844-74-0
PubChem CID76283482
IUPAC Name(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC41H70N16O16S
Molecular Weight1075.2
XLogP-7.7
Topological Polar Surface Area585
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count19
Rotatable Bond Count38
Heavy Atom Count74
Formal Charge0
Complexity2070
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C
InChI
InChI=1S/C41H70N16O16S/c1-19(33(67)57-27(32(43)66)18-31(64)65)50-34(68)21(6-4-15-48-40(44)45)52-35(69)22(7-5-16-49-41(46)47)53-37(71)24(8-11-28(42)59)54-39(73)26(14-17-74-3)56-38(72)25(10-13-30(62)63)55-36(70)23(51-20(2)58)9-12-29(60)61/h19,21-27H,4-18H2,1-3H3,(H2,42,59)(H2,43,66)(H,50,68)(H,51,58)(H,52,69)(H,53,71)(H,54,73)(H,55,70)(H,56,72)(H,57,67)(H,60,61)(H,62,63)(H,64,65)(H4,44,45,48)(H4,46,47,49)/t19-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey
KMACPCJUCHVVGP-FNRPHRCSSA-N
Chemical Structure
2D Structure
2D structure of Acetyl octapeptide-3
CAS: 868844-74-0
CID: 76283482
Formula: C41H70N16O16S
MW: 1075.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1075.2
XLogP3-7.7
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count19
Rotatable Bond Count38
Exact Mass1074.48764138
Monoisotopic Mass1074.48764138
Topological Polar Surface Area585 Ų
Heavy Atom Count74
Formal Charge0
Complexity2070
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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