Chem
J-GLOBAL ID：200907001641169931   Nikkaji number：J2.732.430D

N-[4-(1,3-Benzodioxole-5-yl)-1-hydroxy-5-(mercaptomethyl)-L-prolyl]-L-alanine

N-[4-(1,3-ベンゾジオキソール-5-イル)-1-ヒドロキシ-5-(メルカプトメチル)-L-プロリル]-L-アラニン
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： C16H20N2O6S
Molecular formula furigana： C16-H20-N2-O6-S
Molecular weight： 368.400
InChI： InChI=1S/C16H20N2O6S/c1-8(16(20)21)17-15(19)11-5-10(12(6-25)18(11)22)9-2-3-13-14(4-9)24-7-23-13/h2-4,8,10-12,22,25H,5-7H2,1H3,(H,17,19)(H,20,21)/t8-,10?,11-,12?/m0/s1
InChI key： LNRYWMBIOOXPID-MLHUMARHSA-N
SMILES： C[C@H](NC(=O)[C@@H]1CC(C(CS)N1O)c1ccc2OCOc2c1)C(=O)O
Systematic name  (3)：
  • N-[4-(1,3-ベンゾジオキソール-5-イル)-1-ヒドロキシ-5-(メルカプトメチル)-L-プロリル]-L-アラニン
  • (2S)-2-{[(2S)-4-(2H-1,3-ベンゾジオキソール-5-イル)-1-ヒドロキシ-5-(スルファニルメチル)ピロリジン-2-イル]ホルムアミド}プロパン酸
  • (2S)-2-{[(2S)-4-(2H-1,3-benzodioxol-5-yl)-1-hydroxy-5-(sulfanylmethyl)pyrrolidin-2-yl]formamido}propanoic acid
Other name (2)：
  • N-[4-(1,3-Benzodioxole-5-yl)-1-hydroxy-5-(mercaptomethyl)-L-prolyl]-L-alanine
  • (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine
KEGG COMPOUND： C01314
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM