956943-46-7
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 5-METHYL-3-ISOXAZOLECARBOXYLATE
Name2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 5-METHYL-3-ISOXAZOLECARBOXYLATE
1Identification
【Name】
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 5-METHYL-3-ISOXAZOLECARBOXYLATE
【CAS】
【MDL】
MFCD05670070
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H21 N3 O5
【pro_molWeight】
383.402
【Inchi】
InChI=1S/C20H21N3O5/c1-11-8-14(22-28-11)18(26)27-16-7-5-4-6-13(16)15-9-20(3)10-17(25)21-19(20)23(15)12(2)24/h4-8,15,19H,9-10H2,1-3H3,(H,21,25)/t15?,19?,20-/m1/s1
【InChIKey】
InChIKey=DJFJZLWLXOLNRE-RGKRWLCDSA-N
【SMILES】
Cc1cc(no1)C(=O)Oc2ccccc2C3C[C@@]4(CC(=O)NC4N3C(=O)C)C
【MOL File】
2-[(3AR)-1-ACETYL-3A….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 5-METHYL-3-ISOXAZOLECARBOXYLATE.cml