Chem
J-GLOBAL ID：200907014365032220   Nikkaji number：J557.453F

Rigin

リギン
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： C18H32N8O6
Molecular formula furigana： C18-H32-N8-O6
Molecular weight： 456.504
InChI： InChI=1S/C18H32N8O6/c19-9-14(28)24-10(5-6-13(20)27)16(30)26-8-2-4-12(26)15(29)25-11(17(31)32)3-1-7-23-18(21)22/h10-12H,1-9,19H2,(H2,20,27)(H,24,28)(H,25,29)(H,31,32)(H4,21,22,23)/t10-,11-,12-/m0/s1
InChI key： UEJYSALTSUZXFV-SRVKXCTJSA-N
SMILES： NCC(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name  (3)：
  • Gly-L-Gln-L-Pro-L-Arg-OH
  • (2S)-2-{[(2S)-1-[(2S)-2-(2-アミノアセトアミド)-4-カルバモイルブタノイル]ピロリジン-2-イル]ホルムアミド}-5-カルバムイミドアミドペンタン酸
  • (2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid
Other name (2)：
  • リギン
  • Rigin
CAS registry number： 77727-17-4
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