Chem
J-GLOBAL ID：201507009667300520   Nikkaji number：J3.426.899A

(5Z,13E,15S)-N-(2-Hydroxyethyl)-9-oxo-11α,15-dihydroxy-20-isothiocyanatoprosta-5,13-diene-1-amide

(5Z,13E,15S)-N-(2-ヒドロキシエチル)-9-オキソ-11α,15-ジヒドロキシ-20-イソチオシアナトプロスタ-5,13-ジエン-1-アミド
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： C23H36N2O5S
Molecular formula furigana： C23-H36-N2-O5-S
Molecular weight： 452.610
InChI： InChI=1S/C23H36N2O5S/c26-15-14-25-23(30)10-6-2-1-5-9-19-20(22(29)16-21(19)28)12-11-18(27)8-4-3-7-13-24-17-31/h1,5,11-12,18-20,22,26-27,29H,2-4,6-10,13-16H2,(H,25,30)/b5-1-,12-11+/t18-,19+,20+,22+/m0/s1
InChI key： FLGRTBFTTSGAKA-UWXHNDEISA-N
SMILES： OCCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCCN=C=S)[C@H](O)CC1=O
Systematic name  (3)：
  • (5Z,13E,15S)-N-(2-ヒドロキシエチル)-9-オキソ-11α,15-ジヒドロキシ-20-イソチオシアナトプロスタ-5,13-ジエン-1-アミド
  • (5Z)-7-[(1R,2R,3R)-3-ヒドロキシ-2-[(1E,3S)-3-ヒドロキシ-8-イソチオシアナトオクタ-1-エン-1-イル]-5-オキソシクロペンチル]-N-(2-ヒドロキシエチル)ヘプタ-5-エンアミド
  • (5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-8-isothiocyanatooct-1-en-1-yl]-5-oxocyclopentyl]-N-(2-hydroxyethyl)hept-5-enamide
Other name (1)：
  • (5Z,13E,15S)-N-(2-Hydroxyethyl)-9-oxo-11α,15-dihydroxy-20-isothiocyanatoprosta-5,13-diene-1-amide
Thsaurus map：
Thesaurus Map

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