109621-21-8
N-ACETYL-S-(2-BROMO-2-PHENYLETHYL)-L-CYSTEINE METHYL ESTER
NameN-ACETYL-S-(2-BROMO-2-PHENYLETHYL)-L-CYSTEINE METHYL ESTER
1Identification
【Name】
N-ACETYL-S-(2-BROMO-2-PHENYLETHYL)-L-CYSTEINE METHYL ESTER
【CAS】
【MDL】
MFCD02751723
【English Synonyms】
【Formula】
C14 H18 Br N O3 S
【MolWeight】
360.27
【Inchi】
InChI=1S/C14H18BrNO3S/c1-10(17)16-13(14(18)19-2)9-20-8-12(15)11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=UKKKOBSSKOOUTF-UHFFFAOYSA-N
【SMILES】
CC(=O)NC(CSCC(c1ccccc1)Br)C(=O)OC
【MOL File】
N-ACETYL-S-(2-BROMO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-ACETYL-S-(2-BROMO-2-PHENYLETHYL)-L-CYSTEINE METHYL ESTER.cml