Chem
J-GLOBAL ID：200907049581261950   Nikkaji number：J746.768K

(7aα)-1-[(S)-2-(Benzyloxyamino)-4-pentenoyl]-8,8-dimethyl-3aβ,6β-methanooctahydro-2,1-benzisothiazole 2,2-dioxide

(7aα)-1-[(S)-2-(ベンジルオキシアミノ)-4-ペンテノイル]-8,8-ジメチル-3aβ,6β-メタノオクタヒドロ-2,1-ベンゾイソチアゾール2,2-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： C22H30N2O2[O-]2[S+2]
Molecular formula furigana： C22-H30-N2-O4-S
Molecular weight： 418.550
InChI： InChI=1S/C22H30N2O4S/c1-4-8-18(23-28-14-16-9-6-5-7-10-16)20(25)24-19-13-17-11-12-22(19,21(17,2)3)15-29(24,26)27/h4-7,9-10,17-19,23H,1,8,11-15H2,2-3H3/t17-,18+,19-,22-/m1/s1
InChI key： NZQYWEDDXPMHOX-VQQMMKBISA-N
SMILES： CC1(C)[C@@H]2CC[C@@]31C[S+2]([O-])([O-])N([C@@H]3C2)C(=O)[C@H](CC=C)NOCc1ccccc1
Systematic name  (5)：
  • (1S,5R,7R)-4-[(S)-1-オキソ-2-(ベンジルオキシアミノ)-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
  • (7aα)-1-[(S)-2-(ベンジルオキシアミノ)-4-ペンテノイル]-8,8-ジメチル-3aβ,6β-メタノオクタヒドロ-2,1-ベンゾイソチアゾール2,2-ジオキシド
  • (1α,5β,7α)-4-[(S)-2-(ベンジルオキシアミノ)-4-ペンテノイル]-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-[(2S)-2-[(ベンジルオキシ)アミノ]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]pent-4-enoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (3)：
  • (1S,5R,7R)-4-[(S)-1-Oxo-2-(benzyloxyamino)-4-pentenyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
  • (7aα)-1-[(S)-2-(Benzyloxyamino)-4-pentenoyl]-8,8-dimethyl-3aβ,6β-methanooctahydro-2,1-benzisothiazole 2,2-dioxide
  • (1α,5β,7α)-4-[(S)-2-(Benzyloxyamino)-4-pentenoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
Thsaurus map：
Thesaurus Map

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