Chem
J-GLOBAL ID：200907050827113538
Nikkaji number：J746.769I
(1S,5R,7R)-4-[(S)-1-Oxo-2-(benzyloxyamino)-3,3-dimethyl-4-pentenyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
(1S,5R,7R)-4-[(S)-1-オキソ-2-(ベンジルオキシアミノ)-3,3-ジメチル-4-ペンテニル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン3,3-ジオキシド
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
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
Molecular formula： C24H34N2O2[O-]2[S+2]
Molecular formula furigana： C24-H34-N2-O4-S
Molecular weight： 446.610
InChI：
InChI=1S/C24H34N2O4S/c1-6-22(2,3)20(25-30-15-17-10-8-7-9-11-17)21(27)26-19-14-18-12-13-24(19,23(18,4)5)16-31(26,28)29/h6-11,18-20,25H,1,12-16H2,2-5H3/t18-,19-,20-,24-/m1/s1
InChI key：
ZRHUSXHFQWORIB-DBYOASNMSA-N
SMILES：
CC(C)(C=C)[C@H](NOCc1ccccc1)C(=O)N1[C@@H]2C[C@H]3CC[C@]2(C[S+2]1([O-])[O-])C3(C)C
Systematic name (3)：
- (1S,5R,7R)-4-[(S)-1-オキソ-2-(ベンジルオキシアミノ)-3,3-ジメチル-4-ペンテニル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン3,3-ジオキシド
- (1S,5R,7R)-4-[(2S)-2-[(ベンジルオキシ)アミノ]-3,3-ジメチルペンタ-4-エノイル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン-3,3-ジイウム-3,3-ビス(オラート)
- (1S,5R,7R)-4-[(2S)-2-[(benzyloxy)amino]-3,3-dimethylpent-4-enoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
- (1S,5R,7R)-4-[(S)-1-Oxo-2-(benzyloxyamino)-3,3-dimethyl-4-pentenyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
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