916442-98-3
(2S,2'S)-BENZYL 2,2'-(4,4'-((E)-ETHENE-1,2-DIYL)BIS(4,1-PHENYLENE))BIS(AZANEDIYL)BIS(OXOMETHYLENE)DIPYRROLIDINE-1-CARBOXYLATE
Name(2S,2'S)-BENZYL 2,2'-(4,4'-((E)-ETHENE-1,2-DIYL)BIS(4,1-PHENYLENE))BIS(AZANEDIYL)BIS(OXOMETHYLENE)DIPYRROLIDINE-1-CARBOXYLATE
1Identification
【Name】
(2S,2'S)-BENZYL 2,2'-(4,4'-((E)-ETHENE-1,2-DIYL)BIS(4,1-PHENYLENE))BIS(AZANEDIYL)BIS(OXOMETHYLENE)DIPYRROLIDINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD17215344
【English Synonyms】
【Formula】
C42 H44 N4 O6
【MolWeight】
700.832
【Inchi】
InChI=1S/C42H44N4O6/c47-39(27-37-13-7-25-45(37)41(49)51-29-33-9-3-1-4-10-33)43-35-21-17-31(18-22-35)15-16-32-19-23-36(24-20-32)44-40(48)28-38-14-8-26-46(38)42(50)52-30-34-11-5-2-6-12-34/h1-6,9-12,15-24,37-38H,7-8,13-14,25-30H2,(H,43,47)(H,44,48)/b16-15+/t37-,38-/m0/s1
【InChIKey】
InChIKey=SMUAGCFGXUEABF-BGGJFKEMSA-N
【SMILES】
c1ccc(cc1)COC(=O)N2CCC[C@H]2CC(=O)Nc3ccc(cc3)/C=C/c4ccc(cc4)NC(=O)C[C@@H]5CCCN5C(=O)OCc6ccccc6
【MOL File】
(2S,2'S)-BENZYL 2,2'….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:7.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(2S,2'S)-BENZYL 2,2'-(4,4'-((E)-ETHENE-1,2-DIYL)BIS(4,1-PHENYLENE))BIS(AZANEDIYL)BIS(OXOMETHYLENE)DIPYRROLIDINE-1-CARBOXYLATE.cml