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Crosstide

CAT: 0931-TP1370-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1370-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171783-05-4
Target
Akt
Related Pathways
Cytoskeletal Signaling, PI3K/Akt/mTOR signaling
Bioactivity
Crosstide is a peptide analog of glycogen synthase kinase-3 (GSK-3) and serves as a natural substrate for Akt/PKB.
Smiles
C([C@H](CCCNC(=N)N)NC(CN)=O)(=O)N1[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@H](C(NCC(O)=O)=O)CCC(O)=O)=O)C)=O)=O)CO)=O)CO)=O)[C@@H](C)O)=O)CCCNC(=N)N)=O)CCC1
Molecular Formula
C48H77N17O17
Molecular Weight
1164.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Crosstide
CAS Number171783-05-4
PubChem CID9876863
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
Molecular FormulaC48H77N17O17
Molecular Weight1164.2
XLogP-10.1
Topological Polar Surface Area572
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count20
Rotatable Bond Count36
Heavy Atom Count82
Formal Charge0
Complexity2280
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)CN)O
InChI
InChI=1S/C48H77N17O17/c1-24(38(74)59-28(14-15-35(70)71)39(75)56-21-36(72)73)57-41(77)30(19-26-9-4-3-5-10-26)61-42(78)31(22-66)62-43(79)32(23-67)63-45(81)37(25(2)68)64-40(76)27(11-6-16-54-47(50)51)60-44(80)33-13-8-18-65(33)46(82)29(58-34(69)20-49)12-7-17-55-48(52)53/h3-5,9-10,24-25,27-33,37,66-68H,6-8,11-23,49H2,1-2H3,(H,56,75)(H,57,77)(H,58,69)(H,59,74)(H,60,80)(H,61,78)(H,62,79)(H,63,81)(H,64,76)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/t24-,25+,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1
InChIKey
KJAXEBRGQOHHOY-VXRVIWLSSA-N
Chemical Structure
2D Structure
2D structure of Crosstide
CAS: 171783-05-4
CID: 9876863
Formula: C48H77N17O17
MW: 1164.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1164.2
XLogP3-10.1
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count20
Rotatable Bond Count36
Exact Mass1163.56833406
Monoisotopic Mass1163.56833406
Topological Polar Surface Area572 Ų
Heavy Atom Count82
Formal Charge0
Complexity2280
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes