Chem
J-GLOBAL ID：201407031801864646
Nikkaji number：J3.224.125E
(S)-2-Amino-4-[[(2S)-3β,4β-dihydroxy-5α-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidine-7-yl)tetrahydrofuran-2α-yl]methylthio]butanoic acid
(S)-2-アミノ-4-[[(2S)-3β,4β-ジヒドロキシ-5α-(4-アミノ-5-ブロモ-7H-ピロロ[2,3-d]ピリミジン-7-イル)テトラヒドロフラン-2α-イル]メチルチオ]ブタン酸
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： C15H20BrN5O5S
Molecular formula furigana： C15-H20-BR-N5-O5-S
Molecular weight： 462.320
InChI：
InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
InChI key：
DIULHULFPSIBAK-TWBCTODHSA-N
SMILES：
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(=O)O
Systematic name (3)：
- (S)-2-アミノ-4-[[(2S)-3β,4β-ジヒドロキシ-5α-(4-アミノ-5-ブロモ-7H-ピロロ[2,3-d]ピリミジン-7-イル)テトラヒドロフラン-2α-イル]メチルチオ]ブタン酸
- (2S)-2-アミノ-4-({[(2S,3S,4R,5R)-5-{4-アミノ-5-ブロモ-7H-ピロロ[2,3-d]ピリミジン-7-イル}-3,4-ジヒドロキシオキソラン-2-イル]メチル}スルファニル)ブタン酸
- (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-{4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid
- (S)-2-Amino-4-[[(2S)-3β,4β-dihydroxy-5α-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidine-7-yl)tetrahydrofuran-2α-yl]methylthio]butanoic acid
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