N-Acetyl-S-(3-oxopropyl)-L-cysteine - CAS 140226-30-8
Catalog: |
BB075382 |
Product Name: |
N-Acetyl-S-(3-oxopropyl)-L-cysteine |
CAS: |
140226-30-8 |
Synonyms: |
S-(3-Oxopropyl)-N-acetylcysteine; Sopa-cys; S-(3-Oxopropyl)-N-acetyl-L-cysteine; (2R)-2-acetamido-3-(3-oxopropylsulfanyl)propanoic acid; N-(1-Hydroxyethylidene)-S-(3-oxopropyl)cysteine |
IUPAC Name: | (2R)-2-acetamido-3-(3-oxopropylsulfanyl)propanoic acid |
Molecular Weight: | 219.26 |
Molecular Formula: | C8H13NO4S |
Canonical SMILES: | CC(=O)NC(CSCCC=O)C(=O)O |
InChI: | InChI=1S/C8H13NO4S/c1-6(11)9-7(8(12)13)5-14-4-2-3-10/h3,7H,2,4-5H2,1H3,(H,9,11)(H,12,13)/t7-/m0/s1 |
InChI Key: | OOMVCGSUXLINOO-ZETCQYMHSA-N |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05652907 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05652907 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 109Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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