Basic information
- CAS
102516-58-5- Standard SMILES
COC(=O)C(CSCC(C)(C)Cl)NC(C)=O- InChIKey
DWACJOIQJASOHA-QMMMGPOBSA-N- Molecular formula
- C10H18ClNO3S
- Average molar mass
- 267.77 g/mol
- Monoisotopic mass
- 267.0695923
Names & identifiers
- Preferred name
- N-Acetyl-S-(2-chloro-2-methylpropyl)-L-cysteine methyl ester
- IUPAC
- methyl 2-acetamido-3-(2-chloro-2-methylpropyl)sulfanylpropanoate
- English name
- Alanine, N-acetyl-3-((2-chloro-2-methylpropyl)thio)-, methyl ester, L-
- Molecular formula
- C10H18ClNO3S
- Molecular weight
- 267.77
Names & synonyms
102516-58-5ALANINE, N-ACETYL-3-((2-CHLORO-2-METHYLPROPYL)THIO)-, METHYL ESTER, L-N-Acetyl-S-(2-chloro-2-methylpropyl)-L-cysteine methyl esterL-N-Acetyl-3-((2-chloro-2-methylpropyl)thio)alanine methyl estermethyl 2-acetamido-3-(2-chloro-2-methylpropyl)sulfanylpropanoateDTXSID00907661N-{3-[(2-Chloro-2-methylpropyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acidL-Cysteine, N-acetyl-S-(2-chloro-2-methylpropyl)-, methyl ester
Database identifiers
- CAS
102516-58-5- PubChem CID
- 59423
- DTXSID
DTXSID00907661
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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