(S)-2-(((Benzyloxy)carbonyl)amino)-4-(cyclohexyloxy)-4-oxobutanoic acid

Base Information

• Chemical Name: (S)-2-(((Benzyloxy)carbonyl)amino)-4-(cyclohexyloxy)-4-oxobutanoic acid
• CAS No.: 211797-21-6
• Molecular Formula: C18H23 N O6
• Molecular Weight: 349.37800
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00706873
• Wikidata: Q82640426
• Mol file: 211797-21-6.mol

Synonyms:211797-21-6;Z-ASP(OCHX)-OH;(S)-2-(((Benzyloxy)carbonyl)amino)-4-(cyclohexyloxy)-4-oxobutanoic acid;(2S)-4-cyclohexyloxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid;DTXSID00706873;MFCD00191068;(S)-2-(((Benzyloxy)carbonyl)amino)-4-(cyclohexyloxy)-4-oxobutanoicacid;BS-27709;(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-4-(CYCLOHEXYLOXY)-4-OXOBUTANOIC ACID;(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-(cyclohexyloxy)-4-oxobutanoic acid (non-preferred name)

Chemical Property of (S)-2-(((Benzyloxy)carbonyl)amino)-4-(cyclohexyloxy)-4-oxobutanoic acid

Chemical Property:

• PSA: 101.93000
• LogP: 3.02290
• Storage Temp.: Store at 0-5°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 349.15253745
• Heavy Atom Count: 25
• Complexity: 455

Purity/Quality:

98%Min ^*data from raw suppliers

Z-L-aspartic acid beta-cyclohexyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2
• Isomeric SMILES: C1CCC(CC1)OC(=O)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2