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WIN 68577

CAT: 0013-GTR19231563-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231563-01Size:1 mg
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Description
WIN 68577 (CAS 151928-33-5) is a natural product suitable for use as a reference standard in research. It has been utilized in in vitro studies to investigate biological activities relevant to pharmacological and biochemical research fields.
CAS Number
151928-33-5
Field of Research
Epigenetics & Chromatin
Smiles
CC (C) C1NC (=O) CNC (=O) C2CCCN2C (=O) C (Cc2c[nH]c3ccccc23) NC (=O) CNC (=O) C (NC (=O) CNC1=O) C (O) c1ccc (O) cc1
Molecular Formula
C36H44N8O9
Molecular Weight
732.795
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Win 68577

Cyclo(glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-beta-hydroxy-L-tyrosyl) is an oligopeptide.

CAS Number151928-33-5
PubChem CID9961991
IUPAC Name(3S,9S,15S,21S)-9-[hydroxy-(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Molecular FormulaC36H44N8O9
Molecular Weight732.8
XLogP0.7
Topological Polar Surface Area251
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count53
Formal Charge0
Complexity1370
SMILES
CC(C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)C(C5=CC=C(C=C5)O)O
InChI
InChI=1S/C36H44N8O9/c1-19(2)30-34(51)39-18-29(48)43-31(32(49)20-9-11-22(45)12-10-20)35(52)40-16-27(46)41-25(14-21-15-37-24-7-4-3-6-23(21)24)36(53)44-13-5-8-26(44)33(50)38-17-28(47)42-30/h3-4,6-7,9-12,15,19,25-26,30-32,37,45,49H,5,8,13-14,16-18H2,1-2H3,(H,38,50)(H,39,51)(H,40,52)(H,41,46)(H,42,47)(H,43,48)/t25-,26-,30-,31-,32?/m0/s1
InChIKey
SYBLQDYULNRQHI-ZTRORRTFSA-N
Chemical Structure
2D Structure
2D structure of Win 68577
CAS: 151928-33-5
CID: 9961991
Formula: C36H44N8O9
MW: 732.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight732.8
XLogP30.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass732.32312501
Monoisotopic Mass732.32312501
Topological Polar Surface Area251 Ų
Heavy Atom Count53
Formal Charge0
Complexity1370
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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