Chem
J-GLOBAL ID：200907090408689995   Nikkaji number：J746.772I

(1S,5R,7R)-4-[(2S,3S)-1-Oxo-2-(benzyloxyamino)-3-phenyl-4-pentenyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide

(1S,5R,7R)-4-[(2S,3S)-1-オキソ-2-(ベンジルオキシアミノ)-3-フェニル-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
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： C28H34N2O2[O-]2[S+2]
Molecular formula furigana： C28-H34-N2-O4-S
Molecular weight： 494.650
InChI： InChI=1S/C28H34N2O4S/c1-4-23(21-13-9-6-10-14-21)25(29-34-18-20-11-7-5-8-12-20)26(31)30-24-17-22-15-16-28(24,27(22,2)3)19-35(30,32)33/h4-14,22-25,29H,1,15-19H2,2-3H3/t22-,23+,24-,25+,28-/m1/s1
InChI key： WOQWFKKCTBJDOS-KAUKRTNFSA-N
SMILES： CC1(C)[C@@H]2CC[C@@]31C[S+2]([O-])([O-])N([C@@H]3C2)C(=O)[C@@H](NOCc1ccccc1)[C@@H](C=C)c1ccccc1
Systematic name  (3)：
  • (1S,5R,7R)-4-[(2S,3S)-1-オキソ-2-(ベンジルオキシアミノ)-3-フェニル-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,3S)-2-[(ベンジルオキシ)アミノ]-3-フェニルペンタ-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,3S)-2-[(benzyloxy)amino]-3-phenylpent-4-enoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (1)：
  • (1S,5R,7R)-4-[(2S,3S)-1-Oxo-2-(benzyloxyamino)-3-phenyl-4-pentenyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
Thsaurus map：
Thesaurus Map

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