Chem
J-GLOBAL ID:200907000373875813   Nikkaji number:J2.580.902E

(1α,5β,7α)-4-[(2R,3Z,5S)-2,6-Dimethyl-4-fluoro-5-(tert-butoxycarbonylamino)-3-heptenoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide

(1α,5β,7α)-4-[(2R,3Z,5S)-2,6-ジメチル-4-フルオロ-5-(tert-ブトキシカルボニルアミノ)-3-ヘプテノイル]-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: C24H39FN2O3[O-]2[S+2]
Molecular formula furigana: C24-H39-F-N2-O5-S
Molecular weight: 486.640
InChI: InChI=1S/C24H39FN2O5S/c1-14(2)19(26-21(29)32-22(4,5)6)17(25)11-15(3)20(28)27-18-12-16-9-10-24(18,23(16,7)8)13-33(27,30)31/h11,14-16,18-19H,9-10,12-13H2,1-8H3,(H,26,29)/b17-11-/t15-,16-,18-,19+,24-/m1/s1
InChI key: XYNXMHRWPQNJAI-XHEULALPSA-N
SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)/C(=C/[C@@H](C)C(=O)N1[C@@H]2C[C@H]3CC[C@]2(C[S+2]1([O-])[O-])C3(C)C)/F
Systematic name  (3):
  • (1α,5β,7α)-4-[(2R,3Z,5S)-2,6-ジメチル-4-フルオロ-5-(tert-ブトキシカルボニルアミノ)-3-ヘプテノイル]-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-ジオキシド
  • (1S,5R,7R)-4-[(2R,3Z,5S)-5-{[(tert-ブトキシ)カルボニル]アミノ}-4-フルオロ-2,6-ジメチルヘプタ-3-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-[(2R,3Z,5S)-5-{[(tert-butoxy)carbonyl]amino}-4-fluoro-2,6-dimethylhept-3-enoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (1):
  • (1α,5β,7α)-4-[(2R,3Z,5S)-2,6-Dimethyl-4-fluoro-5-(tert-butoxycarbonylamino)-3-heptenoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
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