L-Stizolobic Acid - CAS 15911-87-2
Catalog: |
BB076688 |
Product Name: |
L-Stizolobic Acid |
CAS: |
15911-87-2 |
Synonyms: |
(αS)-α-Amino-6-carboxy-2-oxo-2H-pyran-4-propanoic Acid;(S)-4-(2-Amino-2-carboxyethyl)-2-oxo-2H-pyran-6-carboxylic Acid |
IUPAC Name: | 4-[(2S)-2-amino-2-carboxyethyl]-6-oxopyran-2-carboxylic acid |
Description: | L-Stizolobic Acid is a natural compound which is rediscovered from unrelated species and has potential use in new drugs. |
Molecular Weight: | 227.17 |
Molecular Formula: | C9H9NO6 |
Canonical SMILES: | C1=C(C=C(OC1=O)C(=O)O)CC(C(=O)O)N |
InChI: | InChI=1S/C9H9NO6/c10-5(8(12)13)1-4-2-6(9(14)15)16-7(11)3-4/h2-3,5H,1,10H2,(H,12,13)(H,14,15)/t5-/m0/s1 |
InChI Key: | KQZBVNZAEQASKU-YFKPBYRVSA-N |
References: | Tulp, M., et al. Bioorg. Med. Chem. 13, 5274 (2005). |
Complexity: | 408 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.04298701 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.04298701 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 127Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3.3 |
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