515130-23-1
2H-1,2-THIAZINE-2-ACETIC ACID, 3,6-DIHYDRO-ALPHA-[4-[[(PHENYLMETHOXY)CARBONYL]AMINO]BUTYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
Name2H-1,2-THIAZINE-2-ACETIC ACID, 3,6-DIHYDRO-ALPHA-[4-[[(PHENYLMETHOXY)CARBONYL]AMINO]BUTYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
1Identification
【Name】
2H-1,2-THIAZINE-2-ACETIC ACID, 3,6-DIHYDRO-ALPHA-[4-[[(PHENYLMETHOXY)CARBONYL]AMINO]BUTYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
【CAS】
【MDL】
MFCD08460311
【English Synonyms】
【Formula】
C19 H26 N2 O6 S
【MolWeight】
410.488
【Inchi】
InChI=1S/C19H26N2O6S/c1-26-18(22)17(21-13-7-8-14-28(21,24)25)11-5-6-12-20-19(23)27-15-16-9-3-2-4-10-16/h2-4,7-10,17H,5-6,11-15H2,1H3,(H,20,23)/t17-/m0/s1
【InChIKey】
InChIKey=RNFZEZOBCARIIS-KRWDZBQOSA-N
【SMILES】
COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)N2CC=CCS2(=O)=O
【MOL File】
2H-1,2-THIAZINE-2-AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-1,2-THIAZINE-2-ACETIC ACID, 3,6-DIHYDRO-ALPHA-[4-[[(PHENYLMETHOXY)CARBONYL]AMINO]BUTYL]-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS).cml