47219-50-1
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OX O-6-(((TETRAHYDRO-5-METHYL-2-FURANYL)CARBONYL)AMINO)-, (2S-(2-ALPHA,5-ALPHA,6-BETA))-
Name4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OX O-6-(((TETRAHYDRO-5-METHYL-2-FURANYL)CARBONYL)AMINO)-, (2S-(2-ALPHA,5-ALPHA,6-BETA))-
pro_formulaC14 H20 N2 O5 S
1Identification
【Name】
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OX O-6-(((TETRAHYDRO-5-METHYL-2-FURANYL)CARBONYL)AMINO)-, (2S-(2-ALPHA,5-ALPHA,6-BETA))-
【CAS】
【MDL】
MFCD01682091
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H20 N2 O5 S
【pro_molWeight】
328.387
【Inchi】
InChI=1S/C14H20N2O5S/c1-6-4-5-7(21-6)10(17)15-8-11(18)16-9(13(19)20)14(2,3)22-12(8)16/h6-9,12H,4-5H2,1-3H3,(H,15,17)(H,19,20)/t6?,7?,8-,9+,12-/m1/s1
【InChIKey】
InChIKey=BDIYHJQDINQRFV-WYNVUNRPSA-N
【SMILES】
CC1CCC(O1)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O
【MOL File】
4-THIA-1-AZABICYCLO(….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OX O-6-(((TETRAHYDRO-5-METHYL-2-FURANYL)CARBONYL)AMINO)-, (2S-(2-ALPHA,5-ALPHA,6-BETA))-.cml