526210-71-9
(S)-2-(N-FMOC-N-METHYL-AMINO)-4-TRITYLSULFANYL-BUTYRIC ACID
Name(S)-2-(N-FMOC-N-METHYL-AMINO)-4-TRITYLSULFANYL-BUTYRIC ACID
1Identification
【Name】
(S)-2-(N-FMOC-N-METHYL-AMINO)-4-TRITYLSULFANYL-BUTYRIC ACID
【CAS】
【MDL】
MFCD07783919
【English Synonyms】
【Formula】
C39 H35 N O4 S
【MolWeight】
613.774
【Inchi】
InChI=1S/C39H35NO4S/c1-40(38(43)44-27-35-33-23-13-11-21-31(33)32-22-12-14-24-34(32)35)36(37(41)42)25-26-45-39(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24,35-36H,25-27H2,1H3,(H,41,42)/t36-/m0/s1
【InChIKey】
InChIKey=XVDJDZSADBCCPL-BHVANESWSA-N
【SMILES】
CN([C@@H](CCSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O)C(=O)OCC4c5ccccc5-c6c4cccc6
【MOL File】
(S)-2-(N-FMOC-N-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-2-(N-FMOC-N-METHYL-AMINO)-4-TRITYLSULFANYL-BUTYRIC ACID.cml