Chem
J-GLOBAL ID：200907064335264779   Nikkaji number：J1.103.876J

Pseudotheonamide D

プソイドテオナミドD
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： C29H36N6O6
Molecular formula furigana： C29-H36-N6-O6
Molecular weight： 564.643
InChI： InChI=1S/C29H36N6O6/c30-17-24(32-18-36)29(41)34-23(16-19-5-2-1-3-6-19)28(40)33-21(15-20-8-11-22(37)12-9-20)10-13-26(38)35-14-4-7-25(35)27(31)39/h1-3,5-6,8-13,18,21,23-25,37H,4,7,14-17,30H2,(H2,31,39)(H,32,36)(H,33,40)(H,34,41)/t21-,23-,24+,25+/m1/s1
InChI key： JMCLWMCVXQEUEH-VGCGRUFVSA-N
SMILES： NC[C@H](NC=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=CC(=O)N1CCC[C@H]1C(=O)N
Systematic name  (3)：
  • D-Phe-[(4S)-4-アミノ*-5-(4-ヒドロキシフェニル)-2-ペンテノイル]-[(2S)-2-(ホルミルアミノ)-βAla-]-L-Pro-NH2
  • (2S)-1-[(4S)-4-[(2R)-2-[(2S)-3-アミノ-2-ホルムアミドプロパンアミド]-3-フェニルプロパンアミド]-5-(4-ヒドロキシフェニル)ペンタ-2-エノイル]ピロリジン-2-カルボキサミド
  • (2S)-1-[(4S)-4-[(2R)-2-[(2S)-3-amino-2-formamidopropanamido]-3-phenylpropanamido]-5-(4-hydroxyphenyl)pent-2-enoyl]pyrrolidine-2-carboxamide
Other name (3)：
  • D-Phe-[(4S)-4-Amino*-5-(4-hydroxyphenyl)-2-pentenoyl]-[(2S)-2-(formylamino)-βAla-]-L-Pro-NH2
  • プソイドテオナミドD
  • Pseudotheonamide D
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