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CHEC-7

CAT: 0931-T30872-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30872-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1068524-58-2
Target
Others
Related Pathways
Others
Bioactivity
CHEC-7 is a neuroprotective cyclic heptapeptide.
Smiles
[C@H](CC1=CN=CN1)(C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CS)=O)CCC(N)=O)=O)CO)=O)C)=O)CCC(O)=O)=O)NC([C@H](CS)N)=O
Molecular Formula
C28H44N10O12S2
Molecular Weight
776.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-Cysteine, L-cysteinyl-L-histidyl-L-alpha-glutamyl-L-alanyl-L-seryl-L-glutaminyl-
CAS Number1068524-58-2
PubChem CID72941980
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC28H44N10O12S2
Molecular Weight776.8
XLogP-7.6
Topological Polar Surface Area369
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count24
Heavy Atom Count52
Formal Charge0
Complexity1310
SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CS)N
InChI
InChI=1S/C28H44N10O12S2/c1-12(22(43)37-18(8-39)27(48)35-15(2-4-20(30)40)25(46)38-19(10-52)28(49)50)33-24(45)16(3-5-21(41)42)34-26(47)17(6-13-7-31-11-32-13)36-23(44)14(29)9-51/h7,11-12,14-19,39,51-52H,2-6,8-10,29H2,1H3,(H2,30,40)(H,31,32)(H,33,45)(H,34,47)(H,35,48)(H,36,44)(H,37,43)(H,38,46)(H,41,42)(H,49,50)/t12-,14-,15-,16-,17-,18-,19-/m0/s1
InChIKey
PBMDUICGBHXMTM-ABEVXSGRSA-N
Chemical Structure
2D Structure
2D structure of L-Cysteine, L-cysteinyl-L-histidyl-L-alpha-glutamyl-L-alanyl-L-seryl-L-glutaminyl-
CAS: 1068524-58-2
CID: 72941980
Formula: C28H44N10O12S2
MW: 776.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight776.8
XLogP3-7.6
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count24
Exact Mass776.25815922
Monoisotopic Mass776.25815922
Topological Polar Surface Area369 Ų
Heavy Atom Count52
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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