Chem
J-GLOBAL ID:200907057304597978
Nikkaji number:J602.397E
Fasidotril
ファシドトリル
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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:
C23 H25 NO6 S
Molecular formula furigana:
C23-H25-N-O6-S
Molecular weight:
443.510
InChI:
InChI=1S/C23H25NO6S/c1-15(23(27)28-12-17-6-4-3-5-7-17)24-22(26)19(13-31-16(2)25)10-18-8-9-20-21(11-18)30-14-29-20/h3-9,11,15,19H,10,12-14H2,1-2H3,(H,24,26)/t15-,19+/m0/s1
InChI key:
KKBIUAUSZKGNOA-HNAYVOBHSA-N
SMILES:
C[C@H](NC(=O)[C@@H](CSC(=O)C)Cc1ccc2OCOc2c1)C(=O)OCc1ccccc1
Systematic name (4):
N-[(S)-3-(アセチルチオ)-2-[(1,3-ベンゾジオキソール-5-イル)メチル]-1-オキソプロピル]-L-アラニンベンジル
N-[(S)-2-ピペロニル-3-(アセチルチオ)プロピオニル]-L-アラニンベンジル
ベンジル (2S)-2-[(2S)-2-[(アセチルスルファニル)メチル]-3-(2H-1,3-ベンゾジオキソール-5-イル)プロパンアミド]プロパノアート
benzyl (2S)-2-[(2S)-2-[(acetylsulfanyl)methyl]-3-(2H-1,3-benzodioxol-5-yl)propanamido]propanoate
Other name (6):
アラトリオプリル
Alatriopril
N-[(S)-3-(Acetylthio)-2-[(1,3-benzodioxol-5-yl)methyl]-1-oxopropyl]-L-alanine benzyl ester
N-[(S)-2-Piperonyl-3-(acetylthio)propionyl]-L-alanine benzyl ester
ファシドトリル
Fasidotril
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CAS registry number:
135038-57-2
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