Allyl (2S,4S)-2-(isothiocyanatomethyl)-4-(tritylsulfanyl)-1-pyrrolidinecarboxylate

ChemSpider ID: 9729898
Molecular Formula: C₂₉H₂₈N₂O₂S₂
Monoisotopic mass: 500.15921 Da
Systematic name

Allyl (2S,4S)-2-(isothiocyanatomethyl)-4-(tritylsulfanyl)-1-pyrrolidinecarboxylate
SMILES and InChIs

SMILES:

O=C(OC\C=C)N4[C@@H](C[C@H](SC(c1ccccc1)(c2ccccc2)c3ccccc3)C4)C/N=C=S Copied

Std. InChI:

InChI=1S/C29H28N2O2S2/c1-2-18-33-28(32)31-21-27(19-26(31)20-30-22-34)35-29(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-17,26-27H,1,18-21H2/t26-,27-/m0/s1 Copied

Std. InChIKey:

GGODPZYGSSAKOJ-SVBPBHIXSA-N Copied

ChemSpider Searches

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library