(S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid

Base Information

• Chemical Name: (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid
• CAS No.: 42417-71-0
• Molecular Formula: C18H25NO6
• Molecular Weight: 351.39
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID40427171
• Wikidata: Q72494966
• Mol file: 42417-71-0.mol

Synonyms:42417-71-0;Z-N-Me-Glu(OtBu)-OH;(S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;Z-MeGlu(OtBu)-OH;DTXSID40427171;AMY22694;MFCD00237356;AKOS016002131;FD21464;AS-49080;CS-0208940;Z-N-Methyl-L-glutamic acid-gamma-t-butyl ester;Cbz-N-methyl-L-glutamic acid 5-tert-butyl ester;A872889;Benzyloxycarbonyl-N-alpha-methyl-L-glutamic-acid-gamma-t-butyl ester;(S)-2-((benzyloxycarbonyl)(methyl)amino)-5-tert-butoxy-5-oxopentanoic acid;(2S)-2-{[(BENZYLOXY)CARBONYL](METHYL)AMINO}-5-(TERT-BUTOXY)-5-OXOPENTANOIC ACID;(S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-5-(tert-butoxy)-5-oxopentanoicacid;5-(1,1-Dimethylethyl) hydrogen?N-methyl-N-[(phenylmethoxy)carbonyl]-L-glutamate;L-Glutamicacid,N-methyl-N-[(phenylmethoxy)carbonyl]-,5-(1,1-dimethylethyl)ester;(2S)-2-{[(Benzyloxy)carbonyl](methyl)amino}-5-tert-butoxy-5-oxopentanoic acid (non-preferred name)

Chemical Property of (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid

Chemical Property:

• Boiling Point: 501 °C at 760 mmHg
• PKA: 3.81±0.10(Predicted)
• Flash Point: 256.8 °C
• PSA: 93.14000
• Density: 1.184 g/cm³
• LogP: 2.83010
• Storage Temp.: -15°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 351.16818752
• Heavy Atom Count: 25
• Complexity: 465

Purity/Quality:

99% ^*data from raw suppliers

Z-N-Me-glu(otbu)-oh ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CCC(C(=O)O)N(C)C(=O)OCC1=CC=CC=C1
• Isomeric SMILES: CC(C)(C)OC(=O)CC[C@@H](C(=O)O)N(C)C(=O)OCC1=CC=CC=C1