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Amidepsin C

CAT: 0931-TN11368-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11368-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
169181-30-0
Target
Acyltransferase
Related Pathways
Metabolism
Bioactivity
Amidepsin C is an inhibitor of diacylglycerol acyltransferase (DGAT) .
Smiles
O=C(OC1=CC(O)=C(C(=O)NC(C(=O)O)C(C)C)C(=C1)C)C2=C(O)C=C(OC(=O)C3=C(O)C=C(OC)C=C3C)C=C2C
Molecular Formula
C30H31NO11
Molecular Weight
581.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amidepsine C

Amidepsine C has been reported in Humicola with data available.

CAS Number169181-30-0
PubChem CID9959967
IUPAC Name2-[[2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-6-methylbenzoyl]amino]-3-methylbutanoic acid
Molecular FormulaC30H31NO11
Molecular Weight581.6
XLogP6.6
Topological Polar Surface Area189
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity973
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)C)C(=O)O)O)O)O)OC
InChI
InChI=1S/C30H31NO11/c1-13(2)26(28(36)37)31-27(35)23-14(3)8-18(11-20(23)32)41-30(39)25-16(5)9-19(12-22(25)34)42-29(38)24-15(4)7-17(40-6)10-21(24)33/h7-13,26,32-34H,1-6H3,(H,31,35)(H,36,37)
InChIKey
GLJVEJVUQYULJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amidepsine C
CAS: 169181-30-0
CID: 9959967
Formula: C30H31NO11
MW: 581.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.6
XLogP36.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass581.18971080
Monoisotopic Mass581.18971080
Topological Polar Surface Area189 Ų
Heavy Atom Count42
Formal Charge0
Complexity973
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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