Chem
J-GLOBAL ID：202207008465917451
Nikkaji number：J3.779.477E
Nα-[(2E,6E,10E)-11-ブロモ-4,4,7-トリメチル-2,6,10-ドデカトリエノイル]トリプトファン
Nα-[(2E,6E,10E)-11-ブロモ-4,4,7-トリメチル-2,6,10-ドデカトリエノイル]トリプトファン
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： C26H33BrN2O3
Molecular formula furigana： C26-H33-BR-N2-O3
Molecular weight： 501.465
InChI：
InChI=1S/C26H33BrN2O3/c1-18(8-7-9-19(2)27)12-14-26(3,4)15-13-24(30)29-23(25(31)32)16-20-17-28-22-11-6-5-10-21(20)22/h5-6,9-13,15,17,23,28H,7-8,14,16H2,1-4H3,(H,29,30)(H,31,32)/b15-13+,18-12+,19-9+/t23-/m0/s1
InChI key：
NPAHYGKSENJFFL-YNJXMZRRSA-N
SMILES：
N([C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)C(=O)/C=C/C(C/C=C(/CC/C=C(\C)/Br)\C)(C)C
Systematic name (3)：
- Nα-[(2E,6E,10E)-11-ブロモ-4,4,7-トリメチル-2,6,10-ドデカトリエノイル]トリプトファン
- (2S)-2-[(2E,6E,10E)-11-ブロモ-4,4,7-トリメチルドデカ-2,6,10-トリエンアミド]-3-(1H-インドール-3-イル)プロパン酸
- (2S)-2-[(2E,6E,10E)-11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido]-3-(1H-indol-3-yl)propanoic acid
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