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MC3482 B

CAT: 1410-M33011-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M33011-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MC3482 is a specific inhibitor of sirtuin5 (SIRT5) .
CAS Number
2922280-86-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
618.68
Molecular Formula
C33H38N4O8
Notes
Research use only, not for human use.
Receptor
Sirtuin

Chemical Information

N2-((Benzyloxy)carbonyl)-N5-((S)-5-(((benzyloxy)carbonyl)amino)-6-oxo-6-(phenylamino)hexyl)-L-glutamine
CAS Number2922280-86-0
PubChem CID134694957
IUPAC Name(2S)-5-[[(5S)-6-anilino-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
Molecular FormulaC33H38N4O8
Molecular Weight618.7
XLogP3.9
Topological Polar Surface Area172
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count45
Formal Charge0
Complexity930
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C33H38N4O8/c38-29(20-19-28(31(40)41)37-33(43)45-23-25-14-6-2-7-15-25)34-21-11-10-18-27(30(39)35-26-16-8-3-9-17-26)36-32(42)44-22-24-12-4-1-5-13-24/h1-9,12-17,27-28H,10-11,18-23H2,(H,34,38)(H,35,39)(H,36,42)(H,37,43)(H,40,41)/t27-,28-/m0/s1
InChIKey
LDCYHYVNYRUUOL-NSOVKSMOSA-N
Chemical Structure
2D Structure
2D structure of N2-((Benzyloxy)carbonyl)-N5-((S)-5-(((benzyloxy)carbonyl)amino)-6-oxo-6-(phenylamino)hexyl)-L-glutamine
CAS: 2922280-86-0
CID: 134694957
Formula: C33H38N4O8
MW: 618.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.7
XLogP33.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass618.26896418
Monoisotopic Mass618.26896418
Topological Polar Surface Area172 Ų
Heavy Atom Count45
Formal Charge0
Complexity930
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA4505-1MC3482

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