Chem
J-GLOBAL ID：200907030766631947
Nikkaji number：J1.469.191J
(1S,5R,7R)-4-[1,3-Dioxo-2-(ethoxycarbonylamino)butyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
(1S,5R,7R)-4-[1,3-ジオキソ-2-(エトキシカルボニルアミノ)ブチル]-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： C17H26N2O4[O-]2[S+2]
Molecular formula furigana： C17-H26-N2-O6-S
Molecular weight： 386.460
InChI：
InChI=1S/C17H26N2O6S/c1-5-25-15(22)18-13(10(2)20)14(21)19-12-8-11-6-7-17(12,16(11,3)4)9-26(19,23)24/h11-13H,5-9H2,1-4H3,(H,18,22)/t11-,12-,13?,17-/m1/s1
InChI key：
UQOLQZGXSVBXRJ-KRZIWZADSA-N
SMILES：
CCOC(=O)NC(C(=O)C)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-[1,3-ジオキソ-2-(エトキシカルボニルアミノ)ブチル]-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-{2-[(エトキシカルボニル)アミノ]-3-オキソブタノイル}-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-{2-[(ethoxycarbonyl)amino]-3-oxobutanoyl}-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
- (1S,5R,7R)-4-[1,3-Dioxo-2-(ethoxycarbonylamino)butyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
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