Amidepsine A

CAT: 0931-T22187-02Size: 2500 μgDry Ice: NoHazardous: No

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CAT#:0931-T22187-02Size:2500 μg

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CAS Number

169181-28-6

Target

Others, Acyltransferase

Related Pathways

Metabolism, Others

Bioactivity

Amidepsine A is a natural product for research related to life sciences. The catalog number is T22187 and the CAS number is 169181-28-6.

Smiles

COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(O)=O)c(O)c3)c(O)c2)c(OC)c1

Molecular Weight

567.541

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Amidepsine A

Amidepsine A has been reported in Humicola with data available.

CAS Number	169181-28-6
PubChem CID	10099481
IUPAC Name	2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid
Molecular Formula	C29H29NO11
Molecular Weight	567.5
XLogP	5.4
Topological Polar Surface Area	178
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Heavy Atom Count	41
Formal Charge	0
Complexity	944

SMILES

CC1=CC(=CC(=C1C(=O)NC(C)C(=O)O)O)OC(=O)C2=C(C=C(C=C2C)OC(=O)C3=C(C=C(C=C3C)OC)OC)O

InChI

InChI=1S/C29H29NO11/c1-13-8-18(10-20(31)23(13)26(33)30-16(4)27(34)35)40-28(36)24-14(2)9-19(11-21(24)32)41-29(37)25-15(3)7-17(38-5)12-22(25)39-6/h7-12,16,31-32H,1-6H3,(H,30,33)(H,34,35)

InChIKey

XQGKRCPZJSNFEL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 169181-28-6

CID: 10099481

Formula: C29H29NO11

MW: 567.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	567.5
XLogP3	5.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Exact Mass	567.17406074
Monoisotopic Mass	567.17406074
Topological Polar Surface Area	178 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	944
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
C4872-1	Amidepsine A
EDA78634-01	Amidepsine D
2147-500	Amidepsine A, Humcola sp.
2148-1000	Amidepsine D, Humcola sp.

Amidepsine A

Chemical Information

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