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201943-63-7 | 9H-Xanthene-9-propanoic acid, α-amino-α-[(1S,2S)-2-carboxycyclopropyl]-, (αS)-
CAS No: 201943-63-7 Catalog No: AG0027XM MDL No:MFCD00949707
Product Description
Catalog Number:
AG0027XM
Chemical Name:
9H-Xanthene-9-propanoic acid, α-amino-α-[(1S,2S)-2-carboxycyclopropyl]-, (αS)-
CAS Number:
201943-63-7
Molecular Formula:
C20H19NO5
Molecular Weight:
353.3686
MDL Number:
MFCD00949707
IUPAC Name:
(1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
InChI Key:
VLZBRVJVCCNPRJ-KPHUOKFYSA-N
SMILES:
OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
353.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.374g/mol
Monoisotopic Mass:
353.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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| Characterization of [3H]-(2S,2'R,3'R)-2-(2',3'-dicarboxy-cyclopropyl)glycine ([3H]-DCG IV) binding to metabotropic mGlu2 receptor-transfected cell membranes. | British journal of pharmacology 19980201 |
| LY341495 is a nanomolar potent and selective antagonist of group II metabotropic glutamate receptors. | Neuropharmacology 19980101 |
| Pharmacological analysis of 4-carboxyphenylglycine derivatives: comparison of effects on mGluR1 alpha and mGluR5a subtypes. | Neuropharmacology 19950801 |
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