1219318-32-7
BOC-S-[2-(4-PYRIDYL)ETHYL]-DL-PENICILLAMINE
NameBOC-S-[2-(4-PYRIDYL)ETHYL]-DL-PENICILLAMINE
1Identification
【Name】
BOC-S-[2-(4-PYRIDYL)ETHYL]-DL-PENICILLAMINE
【CAS】
【MDL】
MFCD02682564
【English Synonyms】
【Formula】
C17 H26 N2 O4 S
【MolWeight】
354.468
【Inchi】
InChI=1S/C17H26N2O4S/c1-16(2,3)23-15(22)19-13(14(20)21)17(4,5)24-11-8-12-6-9-18-10-7-12/h6-7,9-10,13H,8,11H2,1-5H3,(H,19,22)(H,20,21)
【InChIKey】
InChIKey=RCRDVXUYLINCFB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCCc1ccncc1
【MOL File】
BOC-S-[2-(4-PYRIDYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BOC-S-[2-(4-PYRIDYL)ETHYL]-DL-PENICILLAMINE.cml