942070-96-4
(S)-METHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHEN-2-YL)PROPANOATE
Name(S)-METHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHEN-2-YL)PROPANOATE
pro_formulaC19 H30 B N O6 S
1Identification
【Name】
(S)-METHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHEN-2-YL)PROPANOATE
【CAS】
【MDL】
MFCD12407276
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H30 B N O6 S
【pro_molWeight】
411.324
【Inchi】
InChI=1S/C19H30BNO6S/c1-17(2,3)25-16(23)21-13(15(22)24-8)11-12-9-10-14(28-12)20-26-18(4,5)19(6,7)27-20/h9-10,13H,11H2,1-8H3,(H,21,23)/t13-/m0/s1
【InChIKey】
InChIKey=JMGAINMKSPDQFI-ZDUSSCGKSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(s2)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
【MOL File】
(S)-METHYL 2-(TERT-B….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(S)-METHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHEN-2-YL)PROPANOATE.cml