Chem
J-GLOBAL ID:200907026813057629   Nikkaji number:J1.893.631C

(3aS,6aβ)-N-[11-[3,17β-Dihydroxyestra-1(10),2,4-triene-7α-yl]undecyl]-N-methyl-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4α-pentanamide

(3aS,6aβ)-N-[11-[3,17β-ジヒドロキシエストラ-1(10),2,4-トリエン-7α-イル]ウンデシル]-N-メチル-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-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: C40H63N3O4S
Molecular formula furigana: C40-H63-N3-O4-S
Molecular weight: 682.020
InChI: InChI=1S/C40H63N3O4S/c1-40-22-21-31-30-18-17-29(44)25-28(30)24-27(37(31)32(40)19-20-35(40)45)14-10-8-6-4-3-5-7-9-13-23-43(2)36(46)16-12-11-15-34-38-33(26-48-34)41-39(47)42-38/h17-18,25,27,31-35,37-38,44-45H,3-16,19-24,26H2,1-2H3,(H2,41,42,47)/t27-,31-,32+,33+,34+,35+,37-,38+,40+/m1/s1
InChI key: JBELOCCFFCTEAC-SQPHSFOISA-N
SMILES: CN(CCCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Systematic name  (3):
  • (3aS,6aβ)-N-[11-[3,17β-ジヒドロキシエストラ-1(10),2,4-トリエン-7α-イル]ウンデシル]-N-メチル-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-ペンタンアミド
  • N-{11-[(1S,3aS,3bR,4R,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-4-イル]ウンデシル}-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]-N-メチルペンタンアミド
  • N-{11-[(1S,3aS,3bR,4R,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl]undecyl}-5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-methylpentanamide
Other name (1):
  • (3aS,6aβ)-N-[11-[3,17β-Dihydroxyestra-1(10),2,4-triene-7α-yl]undecyl]-N-methyl-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4α-pentanamide
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