5672-82-2
N-CBZ-L-GLUTAMIC ACID ALPHA-METHYL ESTER DICYCLOHEXYL AMMONIUM SALT
NameN-CBZ-L-GLUTAMIC ACID ALPHA-METHYL ESTER DICYCLOHEXYL AMMONIUM SALT
pro_formulaC14 H17 N O6 . C12 H23 N
1Identification
【Name】
N-CBZ-L-GLUTAMIC ACID ALPHA-METHYL ESTER DICYCLOHEXYL AMMONIUM SALT
【CAS】
【MDL】
MFCD00038941
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H17 N O6 . C12 H23 N
【pro_molWeight】
476.61
【Inchi】
InChI=1S/C14H17NO6.C12H23N/c1-20-13(18)11(7-8-12(16)17)15-14(19)21-9-10-5-3-2-4-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,17);11-13H,1-10H2/t11-;/m0./s1
【InChIKey】
InChIKey=BRRFRNXPAYUOHB-MERQFXBCSA-N
【SMILES】
COC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1.C1CCC(CC1)NC2CCCCC2
【MOL File】
N-CBZ-L-GLUTAMIC ACI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-CBZ-L-GLUTAMIC ACID ALPHA-METHYL ESTER DICYCLOHEXYL AMMONIUM SALT.cml