959576-48-8
BOC-(R)-ALPHA-(3-BENZOTHIOPHENYLMETHYL)-PROLINE
NameBOC-(R)-ALPHA-(3-BENZOTHIOPHENYLMETHYL)-PROLINE
1Identification
【Name】
BOC-(R)-ALPHA-(3-BENZOTHIOPHENYLMETHYL)-PROLINE
【CAS】
【MDL】
MFCD06659223
【English Synonyms】
【Formula】
C19 H23 N O4 S
【MolWeight】
361.46
【Inchi】
InChI=1S/C19H23NO4S/c1-18(2,3)24-17(23)20-10-6-9-19(20,16(21)22)11-13-12-25-15-8-5-4-7-14(13)15/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,21,22)/t19-/m1/s1
【InChIKey】
InChIKey=VHTJAARWOIEFMD-LJQANCHMSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC[C@@]1(Cc2csc3c2cccc3)C(=O)O
【MOL File】
BOC-(R)-ALPHA-(3-BEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BOC-(R)-ALPHA-(3-BENZOTHIOPHENYLMETHYL)-PROLINE.cml