Chem
J-GLOBAL ID：200907053199865800
Nikkaji number：J1.803.893E
E2-17PeNH
(17β)-エストラジオール17-[3-[(5-アミノペンチル)カルバモイル]プロピオナート]
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
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
Molecular formula： C27H40N2O4
Molecular formula furigana： C27-H40-N2-O4
Molecular weight： 456.627
InChI：
InChI=1S/C27H40N2O4/c1-27-14-13-21-20-8-6-19(30)17-18(20)5-7-22(21)23(27)9-10-24(27)33-26(32)12-11-25(31)29-16-4-2-3-15-28/h6,8,17,21-24,30H,2-5,7,9-16,28H2,1H3,(H,29,31)/t21-,22-,23+,24+,27+/m1/s1
InChI key：
LGQULXXAIQEWDP-TXDQRGGKSA-N
SMILES：
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NCCCCCN
Systematic name (3)：
- (17β)-エストラジオール17-[3-[(5-アミノペンチル)カルバモイル]プロピオナート]
- (1S,3aS,3bR,9bS,11aS)-7-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-1-イル 3-[(5-アミノペンチル)カルバモイル]プロパノアート
- (1S,3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 3-[(5-aminopentyl)carbamoyl]propanoate
- (17β)-Estradiol 17-[3-[(5-aminopentyl)carbamoyl]propionate]
- E2-17PeNH
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