56222-77-6
N-((5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)METHIONINE
NameN-((5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)METHIONINE
1Identification
【Name】
N-((5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)METHIONINE
【CAS】
【MDL】
MFCD01714697
【English Synonyms】
【Formula】
C16 H18 Cl N O6 S
【MolWeight】
387.838
【Inchi】
InChI=1S/C16H18ClNO6S/c1-7-5-8-10(17)6-9(13(19)12(8)16(23)24-7)14(20)18-11(15(21)22)3-4-25-2/h6-7,11,19H,3-5H2,1-2H3,(H,18,20)(H,21,22)/t7?,11-/m0/s1
【InChIKey】
InChIKey=SQTHKWCCPRSZIW-QRIDDKLISA-N
【SMILES】
CC1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](CCSC)C(=O)O)Cl
【MOL File】
N-((5-CHLORO-8-HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-((5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)METHIONINE.cml