Chem
J-GLOBAL ID：200907092124830135
Nikkaji number：J1.764.868C
Nα-[(2R)-2-[(1S)-5-Methoxy-1-indanyl]-3-mercaptopropionyl]-L-tryptophan
Nα-[(2R)-2-[(1S)-5-メトキシ-1-インダニル]-3-メルカプトプロピオニル]-L-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： C24H26N2O4S
Molecular formula furigana： C24-H26-N2-O4-S
Molecular weight： 438.540
InChI：
InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22+/m1/s1
InChI key：
YJSMEONIEBYZRH-SJBKTWHCSA-N
SMILES：
COc1ccc2[C@@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Systematic name (3)：
- Nα-[(2R)-2-[(1S)-5-メトキシ-1-インダニル]-3-メルカプトプロピオニル]-L-トリプトファン
- (2S)-3-(1H-インドール-3-イル)-2-[(2R)-2-[(1S)-5-メトキシ-2,3-ジヒドロ-1H-インデン-1-イル]-3-スルファニルプロパンアミド]プロパン酸
- (2S)-3-(1H-indol-3-yl)-2-[(2R)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]-3-sulfanylpropanamido]propanoic acid
- Nα-[(2R)-2-[(1S)-5-Methoxy-1-indanyl]-3-mercaptopropionyl]-L-tryptophan
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