Chem
J-GLOBAL ID：201707019439302629   Nikkaji number：J3.605.567G

(8R)-6-[2-Methyl-5-[(S)-1-(1-methyl-7-methoxy-1H-benzotriazole-5-yl)-3-oxo-3-hydroxypropyl]benzyl]-8β-methyl-7,8-dihydro-5-thia-6-aza-9-oxa-6H-benzocycloheptene 5,5-dioxide

(8R)-6-[2-メチル-5-[(S)-1-(1-メチル-7-メトキシ-1H-ベンゾトリアゾール-5-イル)-3-オキソ-3-ヒドロキシプロピル]ベンジル]-8β-メチル-7,8-ジヒドロ-5-チア-6-アザ-9-オキサ-6H-ベンゾシクロヘプテン5,5-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： C28H30N4O4[O-]2[S+2]
Molecular formula furigana： C28-H30-N4-O6-S
Molecular weight： 550.630
InChI： InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
InChI key： ZDNGJXBUEQNFBQ-GCJKJVERSA-N
SMILES： COc1cc(cc2nnn(C)c12)[C@@H](CC(=O)O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3[S+2]2([O-])[O-])c1
Systematic name  (3)：
  • (8R)-6-[2-メチル-5-[(S)-1-(1-メチル-7-メトキシ-1H-ベンゾトリアゾール-5-イル)-3-オキソ-3-ヒドロキシプロピル]ベンジル]-8β-メチル-7,8-ジヒドロ-5-チア-6-アザ-9-オキサ-6H-ベンゾシクロヘプテン5,5-ジオキシド
  • (4R)-2-({5-[(1S)-2-カルボキシ-1-(7-メトキシ-1-メチル-1H-1,2,3-ベンゾトリアゾール-5-イル)エチル]-2-メチルフェニル}メチル)-4-メチル-1,2,3,4-テトラヒドロ-5,1,2-ベンゾオキサチアゼピン-1,1-ジイウム-1,1-ビス(オラート)
  • (4R)-2-({5-[(1S)-2-carboxy-1-(7-methoxy-1-methyl-1H-1,2,3-benzotriazol-5-yl)ethyl]-2-methylphenyl}methyl)-4-methyl-1,2,3,4-tetrahydro-5,1,2-benzoxathiazepine-1,1-diium-1,1-bis(olate)
Other name (1)：
  • (8R)-6-[2-Methyl-5-[(S)-1-(1-methyl-7-methoxy-1H-benzotriazole-5-yl)-3-oxo-3-hydroxypropyl]benzyl]-8β-methyl-7,8-dihydro-5-thia-6-aza-9-oxa-6H-benzocycloheptene 5,5-dioxide
Thsaurus map：
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