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GW280264X

CAT: 0607-BA8012-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA8012-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
866924-39-2
Form
A solid
Molecular Formula
C28H41N5O6S
Molecular Weight
575.72
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Benzyl ((S)-5-((2R,3S)-3-(N-hydroxyformamido)-2-isobutylhexanamido)-6-oxo-6-(thiazol-2-ylamino)hexyl)carbamate
CAS Number866924-39-2
PubChem CID91885425
IUPAC Namebenzyl N-[(5S)-5-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methylpropyl)hexanoyl]amino]-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate
Molecular FormulaC28H41N5O6S
Molecular Weight575.7
XLogP4.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count40
Formal Charge0
Complexity782
SMILES
CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC2=NC=CS2)N(C=O)O
InChI
InChI=1S/C28H41N5O6S/c1-4-10-24(33(38)19-34)22(17-20(2)3)25(35)31-23(26(36)32-27-29-15-16-40-27)13-8-9-14-30-28(37)39-18-21-11-6-5-7-12-21/h5-7,11-12,15-16,19-20,22-24,38H,4,8-10,13-14,17-18H2,1-3H3,(H,30,37)(H,31,35)(H,29,32,36)/t22-,23+,24+/m1/s1
InChIKey
SKJLITFHSZNZMQ-SGNDLWITSA-N
Chemical Structure
2D Structure
2D structure of Benzyl ((S)-5-((2R,3S)-3-(N-hydroxyformamido)-2-isobutylhexanamido)-6-oxo-6-(thiazol-2-ylamino)hexyl)carbamate
CAS: 866924-39-2
CID: 91885425
Formula: C28H41N5O6S
MW: 575.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.7
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass575.27775522
Monoisotopic Mass575.27775522
Topological Polar Surface Area178 Ų
Heavy Atom Count40
Formal Charge0
Complexity782
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C01426GW280264X
A22087-10GW280264X 10mg
A22087-5GW280264X 5mg
A22087-100GW280264X 100mg
A22087-50GW280264X 50mg
A22087-25GW280264X 25mg
A22087-1GW280264X 1mg
A22087-10mM-DGW280264X 10mM * 1mL in DMSO

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