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mGlu2 agonist

CAT: 0607-A3601-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3601-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Anti-depressants,novel potent agent
CAS Number
1311385-32-6
Product Name Alternative
(1R,2R,4S,5R,6R)-4-[[(2S)-2-aminopropanoyl]amino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)bicyclo[3.1.0]hexane-4,6-dicarboxylic acid; azane; hydrate
Field of Research
GPCR G protein mGluR
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC(C(=O)NC1(CC(C2C1C2C(=O)O)SC3=NC=NN3)C(=O)O)N.N.O
Molecular Formula
C13H22N6O6S
Molecular Weight
390.42
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

LY-2979165 ammonium monohydrate
CAS Number1311385-32-6
PubChem CID66577008
IUPAC Name(1R,2S,4R,5R,6R)-2-[[(2S)-2-aminopropanoyl]amino]-4-(1H-1,2,4-triazol-5-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid;azane;hydrate
Molecular FormulaC13H22N6O6S
Molecular Weight390.42
Topological Polar Surface Area199
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity577
SMILES
C[C@@H](C(=O)N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)SC3=NC=NN3)C(=O)O)N.N.O
InChI
InChI=1S/C13H17N5O5S.H3N.H2O/c1-4(14)9(19)17-13(11(22)23)2-5(24-12-15-3-16-18-12)6-7(8(6)13)10(20)21;;/h3-8H,2,14H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,15,16,18);1H3;1H2/t4-,5+,6-,7-,8-,13-;;/m0../s1
InChIKey
FICWTZOQUXUYOK-AHKKVLALSA-N
Chemical Structure
2D Structure
2D structure of LY-2979165 ammonium monohydrate
CAS: 1311385-32-6
CID: 66577008
Formula: C13H22N6O6S
MW: 390.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.42
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass390.13215362
Monoisotopic Mass390.13215362
Topological Polar Surface Area199 Ų
Heavy Atom Count26
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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