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Syn-Ake acetate

CAT: 1410-M21165-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M21165-02Size:50 mg
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Description
Syn-Ake acetate is a muscarinic acetylcholine receptor antagonist.
CAS Number
823202-99-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
495.58
Molecular Formula
C19H29N5O3.2 (C2H4O2)
Notes
Research use only, not for human use.
Receptor
Muscarinic AChR

Chemical Information

Dipeptide diaminobutyroyl benzylamide diacetate
CAS Number823202-99-9
PubChem CID71465152
IUPAC Nameacetic acid;(2S)-N-[(2S)-4-amino-1-(benzylamino)-1-oxobutan-2-yl]-1-(3-aminopropanoyl)pyrrolidine-2-carboxamide
Molecular FormulaC23H37N5O7
Molecular Weight495.6
Topological Polar Surface Area205
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity539
SMILES
CC(=O)O.CC(=O)O.C1C[C@H](N(C1)C(=O)CCN)C(=O)N[C@@H](CCN)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C19H29N5O3.2C2H4O2/c20-10-8-15(18(26)22-13-14-5-2-1-3-6-14)23-19(27)16-7-4-12-24(16)17(25)9-11-21;2*1-2(3)4/h1-3,5-6,15-16H,4,7-13,20-21H2,(H,22,26)(H,23,27);2*1H3,(H,3,4)/t15-,16-;;/m0../s1
InChIKey
HSUGRPOJOBRRBK-SXBSVMRRSA-N
Chemical Structure
2D Structure
2D structure of Dipeptide diaminobutyroyl benzylamide diacetate
CAS: 823202-99-9
CID: 71465152
Formula: C23H37N5O7
MW: 495.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass495.26929854
Monoisotopic Mass495.26929854
Topological Polar Surface Area205 Ų
Heavy Atom Count35
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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