Chem
J-GLOBAL ID：200907036787253010   Nikkaji number：J1.856.734B

Miyakamide B2

ミヤカミドB2
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： C31H32N4O4
Molecular formula furigana： C31-H32-N4-O4
Molecular weight： 524.621
InChI： InChI=1S/C31H32N4O4/c1-21(36)34-28(18-23-12-14-25(37)15-13-23)31(39)35(2)29(19-22-8-4-3-5-9-22)30(38)32-17-16-24-20-33-27-11-7-6-10-26(24)27/h3-17,20,28-29,33,37H,18-19H2,1-2H3,(H,32,38)(H,34,36)/b17-16+/t28-,29-/m0/s1
InChI key： FDKBLSNCAOHWNC-RWBSXZSISA-N
SMILES： CN([C@@H](Cc1ccccc1)C(=O)N/C=C/c1c[nH]c2ccccc12)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C
Systematic name  (3)：
  • N-[(E)-2-(1H-インドール-3-イル)エテニル]-Nα-メチル-Nα-(N-アセチル-L-チロシル)-L-フェニルアラニンアミド
  • (2S)-2-[(2S)-2-アセトアミド-3-(4-ヒドロキシフェニル)-N-メチルプロパンアミド]-N-[(1E)-2-(1H-インドール-3-イル)エテニル]-3-フェニルプロパンアミド
  • (2S)-2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methylpropanamido]-N-[(1E)-2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide
Other name (3)：
  • N-[(E)-2-(1H-Indole-3-yl)ethenyl]-Nα-methyl-Nα-(N-acetyl-L-tyrosyl)-L-phenylalaninamide
  • ミヤカミドB2
  • Miyakamide B2
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