878663-64-0
1-PYRROLIDINECARBOXYLIC ACID, 2-[[[(3-BROMO-4,5-DIHYDRO-5-ISOXAZOLYL)METHYL]AMINO]CARBONYL]-, 3-QUINOLINYLMETHYL ESTER, (2S)-
Name1-PYRROLIDINECARBOXYLIC ACID, 2-[[[(3-BROMO-4,5-DIHYDRO-5-ISOXAZOLYL)METHYL]AMINO]CARBONYL]-, 3-QUINOLINYLMETHYL ESTER, (2S)-
1Identification
【Name】
1-PYRROLIDINECARBOXYLIC ACID, 2-[[[(3-BROMO-4,5-DIHYDRO-5-ISOXAZOLYL)METHYL]AMINO]CARBONYL]-, 3-QUINOLINYLMETHYL ESTER, (2S)-
【CAS】
【MDL】
MFCD12032103
【English Synonyms】
【Formula】
C20 H21 Br N4 O4
【MolWeight】
461.314
【Inchi】
InChI=1S/C20H21BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-5,8,10,15,17H,3,6-7,9,11-12H2,(H,23,26)/t15?,17-/m0/s1
【InChIKey】
InChIKey=FDWIPZHANLQVMF-LWKPJOBUSA-N
【SMILES】
c1ccc2c(c1)cc(cn2)COC(=O)N3CCC[C@H]3C(=O)NCC4CC(=NO4)Br
【MOL File】
1-PYRROLIDINECARBOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PYRROLIDINECARBOXYLIC ACID, 2-[[[(3-BROMO-4,5-DIHYDRO-5-ISOXAZOLYL)METHYL]AMINO]CARBONYL]-, 3-QUINOLINYLMETHYL ESTER, (2S)-.cml