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(Lys7) -Dermorphin

CAT: 1410-M40132Size: 1 EachDry Ice: NoHazardous: No
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Description
(Lys7) -Dermorphin
CAS Number
142689-18-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

(Lys7)-Dermorphin
CAS Number142689-18-7
PubChem CID9988107
IUPAC Name(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC43H57N9O9
Molecular Weight844.0
XLogP0.8
Topological Polar Surface Area301
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count11
Rotatable Bond Count22
Heavy Atom Count61
Formal Charge0
Complexity1460
SMILES
C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
InChI
InChI=1S/C43H57N9O9/c1-26(48-40(58)32(45)22-28-12-16-30(53)17-13-28)39(57)51-34(23-27-8-3-2-4-9-27)41(59)47-25-37(55)49-35(24-29-14-18-31(54)19-15-29)43(61)52-21-7-11-36(52)42(60)50-33(38(46)56)10-5-6-20-44/h2-4,8-9,12-19,26,32-36,53-54H,5-7,10-11,20-25,44-45H2,1H3,(H2,46,56)(H,47,59)(H,48,58)(H,49,55)(H,50,60)(H,51,57)/t26-,32+,33+,34+,35+,36+/m1/s1
InChIKey
OAYQFQPLBIBLJE-NKQYGYANSA-N
Chemical Structure
2D Structure
2D structure of (Lys7)-Dermorphin
CAS: 142689-18-7
CID: 9988107
Formula: C43H57N9O9
MW: 844.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight844.0
XLogP30.8
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count11
Rotatable Bond Count22
Exact Mass843.42792443
Monoisotopic Mass843.42792443
Topological Polar Surface Area301 Ų
Heavy Atom Count61
Formal Charge0
Complexity1460
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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