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Hsp70-derived octapeptide 10mg

CAT: 0628-A23140-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A23140-10Size:10 mg
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CAS Number
736171-62-3

Chemical Information

Hsp70-derived octapeptide
CAS Number736171-62-3
PubChem CID445379
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
Molecular FormulaC36H58N8O16
Molecular Weight858.9
XLogP-5.1
Topological Polar Surface Area390
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count17
Rotatable Bond Count26
Heavy Atom Count60
Formal Charge0
Complexity1610
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1CCCN1C(=O)CN
InChI
InChI=1S/C36H58N8O16/c1-6-17(4)28(42-35(58)29(18(5)45)43-32(55)22-8-7-13-44(22)23(46)15-37)34(57)39-19(9-11-24(47)48)30(53)38-20(10-12-25(49)50)31(54)41-27(16(2)3)33(56)40-21(36(59)60)14-26(51)52/h16-22,27-29,45H,6-15,37H2,1-5H3,(H,38,53)(H,39,57)(H,40,56)(H,41,54)(H,42,58)(H,43,55)(H,47,48)(H,49,50)(H,51,52)(H,59,60)/t17-,18+,19-,20-,21-,22-,27-,28-,29-/m0/s1
InChIKey
ZFLYGBZWZFFSEA-KXIJWNIYSA-N
Chemical Structure
2D Structure
2D structure of Hsp70-derived octapeptide
CAS: 736171-62-3
CID: 445379
Formula: C36H58N8O16
MW: 858.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight858.9
XLogP3-5.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count17
Rotatable Bond Count26
Exact Mass858.39707779
Monoisotopic Mass858.39707779
Topological Polar Surface Area390 Ų
Heavy Atom Count60
Formal Charge0
Complexity1610
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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