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Pep4c

CAT: 0926-TJA84343-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-TJA84343-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
243843-43-8
Smiles
CC (C) C (C (=O) NC (C) C (=O) NC (CCCCN) C (=O) NC (CO) C (=O) NC (C) C (=O) NC (CCC (=O) N) C (=O) O) NC (=O) C (CCCCN) NC (=O) C (CCSC) NC (=O) C (CCCN=C (N) N) NC (=O) C (CCCCN) N
Molecular Formula
C48H91N17O13S
Molecular Weight
1,146.4 g/mol
Controlled
No

Chemical Information

GluR4cr
CAS Number243843-43-8
PubChem CID90471151
IUPAC Name(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC48H91N17O13S
Molecular Weight1146.4
XLogP-7.8
Topological Polar Surface Area556
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count43
Heavy Atom Count79
Formal Charge0
Complexity2000
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C48H91N17O13S/c1-26(2)37(46(76)58-28(4)38(68)59-30(14-7-10-21-50)42(72)64-35(25-66)45(75)57-27(3)39(69)63-34(47(77)78)17-18-36(53)67)65-44(74)31(15-8-11-22-51)61-43(73)33(19-24-79-5)62-41(71)32(16-12-23-56-48(54)55)60-40(70)29(52)13-6-9-20-49/h26-35,37,66H,6-25,49-52H2,1-5H3,(H2,53,67)(H,57,75)(H,58,76)(H,59,68)(H,60,70)(H,61,73)(H,62,71)(H,63,69)(H,64,72)(H,65,74)(H,77,78)(H4,54,55,56)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,37-/m0/s1
InChIKey
PUDVEKDEUNWDBZ-SKYKFSGJSA-N
Chemical Structure
2D Structure
2D structure of GluR4cr
CAS: 243843-43-8
CID: 90471151
Formula: C48H91N17O13S
MW: 1146.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1146.4
XLogP3-7.8
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count43
Exact Mass1145.67029720
Monoisotopic Mass1145.67029720
Topological Polar Surface Area556 Ų
Heavy Atom Count79
Formal Charge0
Complexity2000
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

Alternative Products

CatalogName
HY-P1057Pep4c

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