959745-78-9
BENZYL (1R*,2R*,3R*,5S*)-2-(BENZYLOXYCARBONYLAMINO)-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLATE
NameBENZYL (1R*,2R*,3R*,5S*)-2-(BENZYLOXYCARBONYLAMINO)-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLATE
1Identification
【Name】
BENZYL (1R*,2R*,3R*,5S*)-2-(BENZYLOXYCARBONYLAMINO)-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD09881432
【EnglishSynonyms】
【pro_formula】
C21 H21 N O5
【pro_molWeight】
367.399
【Inchi】
InChI=1S/C21H21NO5/c23-20(25-12-14-7-3-1-4-8-14)16-11-17-19(27-17)18(16)22-21(24)26-13-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2,(H,22,24)/t16-,17+,18-,19+/m1/s1
【InChIKey】
InChIKey=KQAXLKWCZGUGEK-HCXYKTFWSA-N
【SMILES】
c1ccc(cc1)COC(=O)[C@@H]2C[C@H]3[C@@H]([C@@H]2NC(=O)OCc4ccccc4)O3
【MOL File】
BENZYL (1R*,2R*,3R*,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
BENZYL (1R*,2R*,3R*,5S*)-2-(BENZYLOXYCARBONYLAMINO)-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLATE.cml