(2R)-2-Amino-3-(benzylsulfinyl)propanoic acid
PubChem CID
16075057
Structure
Molecular Formula
Synonyms
- (2R)-2-Amino-3-(benzylsulfinyl)propanoic acid
- 60668-81-7
- (2R)-2-amino-3-benzylsulfinylpropanoic acid
- S-Benzyl-L-cystein-S-oxide
- S-benzyl-L-cysteine sulfoxide
Molecular Weight
227.28 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-06-11
- Modify:2025-01-25
Chemical Structure Depiction
(2R)-2-amino-3-benzylsulfinylpropanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C10H13NO3S/c11-9(10(12)13)7-15(14)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-,15?/m0/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
OBQBHBOGTLPNJM-HJULIUOESA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=CC=C(C=C1)CS(=O)C[C@@H](C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H13NO3S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- petiveriin
- S-benzyl-cysteine sulfoxide
- S-benzyl-L-cysteine sulfoxide
- (2R)-2-Amino-3-(benzylsulfinyl)propanoic acid
- 60668-81-7
- (2R)-2-amino-3-benzylsulfinylpropanoic acid
- S-Benzyl-L-cystein-S-oxide
- S-benzyl-L-cysteine sulfoxide
- 2-amino-3-benzylsulfinyl-propanoic acid
- Benzylcysteine sulfoxide
- (2R)-2-Amino-3-(benzylsulfinyl)propanoicacid
- (2R)-2-AMINO-3-PHENYLMETHANESULFINYLPROPANOIC ACID
- (2R)-2-amino-3-benzylsulfinyl-propanoic acid
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
227.28 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-2.7
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
227.06161445 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
227.06161445 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
99.6 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
239
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=OBQBHBOGTLPNJM-HJULIUOESA-N
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBase(S(C),S(S))-S-BENZYL-D-CYSTEINE-SULFOXIDEhttps://spectrabase.com/spectrum/GhsX1Mf9ZkW(S(C),R(S))-S-BENZYL-D-CYSTEINE-SULFOXIDEhttps://spectrabase.com/spectrum/92awvHHQL46
- Springer Nature
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlS-benzyl-cysteine sulfoxidehttps://www.ncbi.nlm.nih.gov/mesh/67445736
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 427549871https://pubchem.ncbi.nlm.nih.gov/substance/427549871
CONTENTS