Chem
J-GLOBAL ID：202007003833100820   Nikkaji number：J3.749.778I

β-lactolin

βラクトリン
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： C26H31N5O7
Molecular formula furigana： C26-H31-N5-O7
Molecular weight： 525.562
InChI： InChI=1S/C26H31N5O7/c1-14(32)23(31-22(34)12-27)25(36)29-20(11-16-13-28-19-5-3-2-4-18(16)19)24(35)30-21(26(37)38)10-15-6-8-17(33)9-7-15/h2-9,13-14,20-21,23,28,32-33H,10-12,27H2,1H3,(H,29,36)(H,30,35)(H,31,34)(H,37,38)/t14-,20+,21+,23+/m1/s1
InChI key： TXPHQEQTFQXQJP-UYILYCRRSA-N
SMILES： C(C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)N
Systematic name  (2)：
  • (2S)-2-[(2S)-2-[(2S,3R)-2-(2-アミノアセトアミド)-3-ヒドロキシブタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-3-(4-ヒドロキシフェニル)プロパン酸
  • (2S)-2-[(2S)-2-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Other name (3)：
  • Gly-L-Thr-L-Trp-L-Tyr-OH
  • βラクトリン
  • β-lactolin
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