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Peptide5

CAT: 0931-T36851Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36851Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
916977-43-0
Target
Gap Junction Protein
Related Pathways
Cytoskeletal Signaling
Bioactivity
Connexin43 mimetic peptide. Reduces swelling, astrogliosis, neuroinflammation and neuronal cell death following spinal cord injury ex vivo and in vivo. Exhibits analgesic effects in models of neuropathic pain.
Smiles
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Molecular Formula
C60H98N16O20S
Molecular Weight
1395.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Peptide5
CAS Number916977-43-0
PubChem CID90693053
IUPAC Name(4S)-5-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC60H98N16O20S
Molecular Weight1395.6
XLogP-9.1
Topological Polar Surface Area601
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count24
Rotatable Bond Count44
Heavy Atom Count97
Formal Charge0
Complexity2720
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)N)O
InChI
InChI=1S/C60H98N16O20S/c1-29(2)24-37(69-51(87)38(25-33-14-8-7-9-15-33)70-54(90)41(28-97)73-52(88)39(26-44(82)83)71-56(92)45(62)30(3)4)50(86)72-40(27-77)53(89)68-36(17-12-22-65-60(63)64)58(94)76-23-13-18-42(76)55(91)74-46(31(5)78)57(93)67-35(19-20-43(80)81)48(84)66-34(16-10-11-21-61)49(85)75-47(32(6)79)59(95)96/h7-9,14-15,29-32,34-42,45-47,77-79,97H,10-13,16-28,61-62H2,1-6H3,(H,66,84)(H,67,93)(H,68,89)(H,69,87)(H,70,90)(H,71,92)(H,72,86)(H,73,88)(H,74,91)(H,75,85)(H,80,81)(H,82,83)(H,95,96)(H4,63,64,65)/t31-,32-,34+,35+,36+,37+,38+,39+,40+,41+,42+,45+,46+,47+/m1/s1
InChIKey
RJEAEIUDNCLZNN-VUZGFOMDSA-N
Chemical Structure
2D Structure
2D structure of Peptide5
CAS: 916977-43-0
CID: 90693053
Formula: C60H98N16O20S
MW: 1395.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1395.6
XLogP3-9.1
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count24
Rotatable Bond Count44
Exact Mass1394.68640075
Monoisotopic Mass1394.68640075
Topological Polar Surface Area601 Ų
Heavy Atom Count97
Formal Charge0
Complexity2720
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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