(S)-3-((Acetamidomethyl)thio)-2-((tert-butoxycarbonyl)amino)propanoic acid

Base Information

• Chemical Name: (S)-3-((Acetamidomethyl)thio)-2-((tert-butoxycarbonyl)amino)propanoic acid
• CAS No.: 138775-00-5
• Molecular Formula: C11H20N2O5S
• Molecular Weight: 292.35
• Hs Code.: 2930 90 16
• DSSTox Substance ID: DTXSID40427010
• Wikidata: Q72509656
• Mol file: 138775-00-5.mol

Synonyms:138775-00-5;BOC-D-CYS(ACM)-OH;(S)-3-((Acetamidomethyl)thio)-2-((tert-butoxycarbonyl)amino)propanoic acid;Boc-S-acetamidomethyl-D-cysteine;(2S)-3-(acetamidomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;D-Cysteine, S-[(acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-;S-(Acetamidomethyl)-N-(tert-butoxycarbonyl)-D-cysteine;SCHEMBL8014259;DTXSID40427010;HLCTYBOTPCIHTG-MRVPVSSYSA-N;MFCD00076917;(S)-3-((Acetamidomethyl)thio)-2-((tert-butoxycarbonyl)amino)propanoicacid;AKOS016843015;AC-8613;FD21257;AS-49013;N-Boc-S-[(acetylamino)methyl]-D-cysteine;CS-0133021;(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[(acetamidomethyl)sulfanyl]propanoic acid

Chemical Property of (S)-3-((Acetamidomethyl)thio)-2-((tert-butoxycarbonyl)amino)propanoic acid

Chemical Property:

• PSA: 130.03000
• LogP: 1.57290
• Storage Temp.: Store at RT.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 292.10929292
• Heavy Atom Count: 19
• Complexity: 341

Purity/Quality:

98.5% ^*data from raw suppliers

Boc-S-acetamidomethyl-D-cysteine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCSCC(C(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC(=O)NCSC[C@H](C(=O)O)NC(=O)OC(C)(C)C