Chem
J-GLOBAL ID：200907077587000000   Nikkaji number：J508.692B

I-SAP

(5Z)-7-[(1R,2S,3S,5R)-3-(4-ヨードベンゼンスルホンアミド)-6,6-ジメチルビシクロ[3.1.1]ヘプタン-2-イル]ヘプタ-5-エン酸
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： C22H30INO4S
Molecular formula furigana： C22-H30-I-N-O4-S
Molecular weight： 531.450
InChI： InChI=1S/C22H30INO4S/c1-22(2)15-13-19(22)18(7-5-3-4-6-8-21(25)26)20(14-15)24-29(27,28)17-11-9-16(23)10-12-17/h3,5,9-12,15,18-20,24H,4,6-8,13-14H2,1-2H3,(H,25,26)/b5-3-/t15-,18+,19-,20+/m1/s1
InChI key： SZNMERGTFJHNSM-CPAMQKEOSA-N
SMILES： CC1(C)[C@@H]2C[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H](C2)NS(=O)(=O)c1ccc(I)cc1
Systematic name  (3)：
  • (5Z)-7-[[(1R,2S,3S,5R)-6,6-ジメチル-3-(4-ヨードフェニルスルホニルアミノ)ビシクロ[3.1.1]ヘプタン]-2-イル]-5-ヘプテン酸
  • (5Z)-7-[(1R,2S,3S,5R)-3-(4-ヨードベンゼンスルホンアミド)-6,6-ジメチルビシクロ[3.1.1]ヘプタン-2-イル]ヘプタ-5-エン酸
  • (5Z)-7-[(1R,2S,3S,5R)-3-(4-iodobenzenesulfonamido)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Other name (2)：
  • I-SAP
  • (5Z)-7-[[(1R,2S,3S,5R)-6,6-Dimethyl-3-(4-iodophenylsulfonylamino)bicyclo[3.1.1]heptan]-2-yl]-5-heptenoic acid
Thsaurus map：
Thesaurus Map

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