Chem
J-GLOBAL ID：200907074592153215   Nikkaji number：J2.496.951G

(4R)-3-(4-Methoxybenzyl)-4α-[4-[methylthio(4-methoxyphenylsulfonylimino)methylamino]-1-butenyl]-5α-hydroxytetrahydro-1,2,3-oxathiazine 2,2-dioxide

(4R)-3-(4-メトキシベンジル)-4α-[4-[メチルチオ(4-メトキシフェニルスルホニルイミノ)メチルアミノ]-1-ブテニル]-5α-ヒドロキシテトラヒドロ-1,2,3-オキサチアジン2,2-ジオキシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C24H31N3O6[O-]2S2[S+2]
Molecular formula furigana： C24-H31-N3-O8-S3
Molecular weight： 585.710
InChI： InChI=1S/C24H31N3O8S3/c1-33-19-9-7-18(8-10-19)16-27-22(23(28)17-35-38(27,31)32)6-4-5-15-25-24(36-3)26-37(29,30)21-13-11-20(34-2)12-14-21/h4,6-14,22-23,28H,5,15-17H2,1-3H3,(H,25,26)/t22-,23-/m1/s1
InChI key： VNPINHHGFRVCNK-DHIUTWEWSA-N
SMILES： COc1ccc(CN2[C@H](C=CCCNC(=NS(=O)(=O)c3ccc(OC)cc3)SC)[C@H](O)CO[S+2]2([O-])[O-])cc1
Systematic name  (3)：
  • (4R)-3-(4-メトキシベンジル)-4α-[4-[メチルチオ(4-メトキシフェニルスルホニルイミノ)メチルアミノ]-1-ブテニル]-5α-ヒドロキシテトラヒドロ-1,2,3-オキサチアジン2,2-ジオキシド
  • (4R,5S)-5-ヒドロキシ-4-[4-({[(4-メトキシベンゼンスルホニル)イミノ](メチルスルファニル)メチル}アミノ)ブタ-1-エン-1-イル]-3-[(4-メトキシフェニル)メチル]-1,2,3-オキサチアジナン-2,2-ジイウム-2,2-ビス(オラート)
  • (4R,5S)-5-hydroxy-4-[4-({[(4-methoxybenzenesulfonyl)imino](methylsulfanyl)methyl}amino)but-1-en-1-yl]-3-[(4-methoxyphenyl)methyl]-1,2,3-oxathiazinane-2,2-diium-2,2-bis(olate)
Other name (1)：
  • (4R)-3-(4-Methoxybenzyl)-4α-[4-[methylthio(4-methoxyphenylsulfonylimino)methylamino]-1-butenyl]-5α-hydroxytetrahydro-1,2,3-oxathiazine 2,2-dioxide
Thsaurus map：
Thesaurus Map

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