Chem
J-GLOBAL ID：200907041371895602
Nikkaji number：J1.929.077H
(1R,4S,7R,8S,11R)-4-Isopropyl-8-(4-nitrophenyl)-11-phenyl-9-oxa-2,10-dithia-5-azatricyclo[5.2.2.01,5]undecane-6-one
(1R,4S,7R,8S,11R)-4-イソプロピル-8-(4-ニトロフェニル)-11-フェニル-9-オキサ-2,10-ジチア-5-アザトリシクロ[5.2.2.01,5]ウンデカン-6-オン
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： C22H22N[N+]O3[O-]S2
Molecular formula furigana： C22-H22-N2-O4-S2
Molecular weight： 442.550
InChI：
InChI=1S/C22H22N2O4S2/c1-13(2)17-12-29-22-23(17)21(25)18(20(30-22)15-6-4-3-5-7-15)19(28-22)14-8-10-16(11-9-14)24(26)27/h3-11,13,17-20H,12H2,1-2H3/t17-,18+,19-,20+,22-/m1/s1
InChI key：
CYFNMCLNRMQIRU-BFUACXKISA-N
SMILES：
CC(C)[C@H]1CS[C@@]23O[C@@H]([C@@H]([C@@H](S2)c2ccccc2)C(=O)N13)c1ccc(cc1)[N+](=O)[O-]
Systematic name (3)：
- (1R,4S,7R,8S,11R)-4-イソプロピル-8-(4-ニトロフェニル)-11-フェニル-9-オキサ-2,10-ジチア-5-アザトリシクロ[5.2.2.01,5]ウンデカン-6-オン
- (1R,4S,7R,8S,11R)-8-(4-ニトロフェニル)-11-フェニル-4-(プロパン-2-イル)-9-オキサ-2,10-ジチア-5-アザトリシクロ[5.2.2.01,5]ウンデカン-6-オン
- (1R,4S,7R,8S,11R)-8-(4-nitrophenyl)-11-phenyl-4-(propan-2-yl)-9-oxa-2,10-dithia-5-azatricyclo[5.2.2.01,5]undecan-6-one
- (1R,4S,7R,8S,11R)-4-Isopropyl-8-(4-nitrophenyl)-11-phenyl-9-oxa-2,10-dithia-5-azatricyclo[5.2.2.01,5]undecane-6-one
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