Chem
J-GLOBAL ID:200907039572318595   Nikkaji number:J2.161.636B

N-(3,17-Dihydroxy-1,3,5(10)-estratriene-6α-yl)-5-[[(3aS)-2-oxo-2,3,3aβ,4,6,6aβ-hexahydro-1H-thieno[3,4-d]imidazole]-4α-yl]pentanamide

N-(3,17-ジヒドロキシ-1,3,5(10)-エストラトリエン-6α-イル)-5-[[(3aS)-2-オキソ-2,3,3aβ,4,6,6aβ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール]-4α-イル]ペンタンアミド
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: C28H39N3O4S
Molecular formula furigana: C28-H39-N3-O4-S
Molecular weight: 513.700
InChI: InChI=1S/C28H39N3O4S/c1-28-11-10-17-16-7-6-15(32)12-19(16)21(13-18(17)20(28)8-9-24(28)33)29-25(34)5-3-2-4-23-26-22(14-36-23)30-27(35)31-26/h6-7,12,17-18,20-24,26,32-33H,2-5,8-11,13-14H2,1H3,(H,29,34)(H2,30,31,35)/t17-,18-,20+,21+,22+,23+,24?,26+,28+/m1/s1
InChI key: LPFYUKMBVFGEEL-YVKIBXMASA-N
SMILES: C[C@]12CC[C@H]3[C@@H](C[C@H](NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c4cc(O)ccc34)[C@@H]1CCC2O
Systematic name  (3):
  • N-(3,17-ジヒドロキシ-1,3,5(10)-エストラトリエン-6α-イル)-5-[[(3aS)-2-オキソ-2,3,3aβ,4,6,6aβ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール]-4α-イル]ペンタンアミド
  • N-[(3aS,3bR,5S,9bS,11aS)-1,7-ジヒドロキシ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5-イル]-5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド
  • N-[(3aS,3bR,5S,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl]-5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Other name (1):
  • N-(3,17-Dihydroxy-1,3,5(10)-estratriene-6α-yl)-5-[[(3aS)-2-oxo-2,3,3aβ,4,6,6aβ-hexahydro-1H-thieno[3,4-d]imidazole]-4α-yl]pentanamide
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