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Amidepsin B

CAT: 0013-GTR19255344-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255344-01Size:10 mg
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Description
Amidepsin B is an inhibitor of diacylglycerol acyltransferase (DGAT) .
CAS Number
169181-29-7
Field of Research
Metabolism Research
Smiles
O (C (=O) C1=C (C) C=C (OC) C=C1O) C2=CC (C) =C (C (OC3=CC (C) =C (C (N[C@H] (C (O) =O) C) =O) C (O) =C3) =O) C (O) =C2
Molecular Formula
C28H27NO11
Molecular Weight
553.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amidepsine B

2-{[hydroxy({2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylphenyl})methylidene]amino}propanoic acid has been reported in Humicola with data available.

CAS Number169181-29-7
PubChem CID10347602
IUPAC Name2-[[2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-6-methylbenzoyl]amino]propanoic acid
Molecular FormulaC28H27NO11
Molecular Weight553.5
XLogP5.7
Topological Polar Surface Area189
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity928
SMILES
CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)NC(C)C(=O)O)O)O)O)OC
InChI
InChI=1S/C28H27NO11/c1-12-7-17(10-19(30)22(12)25(33)29-15(4)26(34)35)39-28(37)24-14(3)8-18(11-21(24)32)40-27(36)23-13(2)6-16(38-5)9-20(23)31/h6-11,15,30-32H,1-5H3,(H,29,33)(H,34,35)
InChIKey
MRXFLJQBLAIVOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amidepsine B
CAS: 169181-29-7
CID: 10347602
Formula: C28H27NO11
MW: 553.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.5
XLogP35.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass553.15841068
Monoisotopic Mass553.15841068
Topological Polar Surface Area189 Ų
Heavy Atom Count40
Formal Charge0
Complexity928
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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