Chem
J-GLOBAL ID:200907071265488212
Nikkaji number:J817.146G
AHA-006
2,7-ジベンジル-3α,6β-ビス(フェノキシメチル)-4α,5β-ジヒドロキシヘキサヒドロ-1,2,7-チアジアゼピン1,1-ジオキシド
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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:
C32 H34 N2 O4 [O-]2 [S+2]
Molecular formula furigana:
C32-H34-N2-O6-S
Molecular weight:
574.690
InChI:
InChI=1S/C32H34N2O6S/c35-31-29(23-39-27-17-9-3-10-18-27)33(21-25-13-5-1-6-14-25)41(37,38)34(22-26-15-7-2-8-16-26)30(32(31)36)24-40-28-19-11-4-12-20-28/h1-20,29-32,35-36H,21-24H2/t29-,30-,31+,32+/m1/s1
InChI key:
CAGHBXQSDLNCES-ZRTHHSRSSA-N
SMILES:
O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)[S+2]([O-])([O-])N(Cc2ccccc2)[C@@H]1COc1ccccc1
Systematic name (6):
(3R,4S,5S,6R)-2,7-ジベンジル-3,6-ビス(フェノキシメチル)-4,5-ジヒドロキシヘキサヒドロ-1,2,7-チアジアゼピン1,1-ジオキシド
2,7-ジベンジル-3α,6β-ビス(フェノキシメチル)-4α,5β-ジヒドロキシヘキサヒドロ-1,2,7-チアジアゼピン1,1-ジオキシド
(3R)-2,7-ジベンジル-3α,6β-ビス(フェノキシメチル)ヘキサヒドロ-1,2,7-チアジアゼピン-4α,5β-ジオール1,1-ジオキシド
(4R)-1,3-ジベンジル-5α,6β-ジヒドロキシ-4α,7β-ビス(フェノキシメチル)-2-チア-1,3-ジアザシクロヘプテン2,2-ジオキシド
(3R,4S,5S,6R)-2,7-ジベンジル-4,5-ジヒドロキシ-3,6-ビス(フェノキシメチル)-1,2,7-チアジアゼパン-1,1-ジイウム-1,1-ビス(オラート)
(3R,4S,5S,6R)-2,7-dibenzyl-4,5-dihydroxy-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-1,1-diium-1,1-bis(olate)
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Other name (5):
(3R,4S,5S,6R)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-4,5-dihydroxyhexahydro-1,2,7-thiadiazepine 1,1-dioxide
2,7-Dibenzyl-3α,6β-bis(phenoxymethyl)-4α,5β-dihydroxyhexahydro-1,2,7-thiadiazepine 1,1-dioxide
(3R)-2,7-Dibenzyl-3α,6β-bis(phenoxymethyl)hexahydro-1,2,7-thiadiazepine-4α,5β-diol 1,1-dioxide
AHA-006
(4R)-1,3-Dibenzyl-5α,6β-dihydroxy-4α,7β-bis(phenoxymethyl)-2-thia-1,3-diazacycloheptene 2,2-dioxide
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