Chem
J-GLOBAL ID：200907020431739551
Nikkaji number：J1.472.628D
Phe-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Phe-OH
Phe-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Phe-OH
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
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
Molecular formula： C79H91N11O22
Molecular formula furigana： C79-H91-N11-O22
Molecular weight： 1546.652
InChI：
InChI=1S/C79H91N11O22/c80-53(41-47-19-7-1-8-20-47)69(101)81-54(31-36-64(91)92)70(102)86-59(42-48-21-9-2-10-22-48)75(107)82-55(32-37-65(93)94)71(103)87-60(43-49-23-11-3-12-24-49)76(108)83-56(33-38-66(95)96)72(104)88-61(44-50-25-13-4-14-26-50)77(109)84-57(34-39-67(97)98)73(105)89-62(45-51-27-15-5-16-28-51)78(110)85-58(35-40-68(99)100)74(106)90-63(79(111)112)46-52-29-17-6-18-30-52/h1-30,53-63H,31-46,80H2,(H,81,101)(H,82,107)(H,83,108)(H,84,109)(H,85,110)(H,86,102)(H,87,103)(H,88,104)(H,89,105)(H,90,106)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,111,112)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
InChI key：
FDMOJPWHOXTNMV-AKSVVZABSA-N
SMILES：
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name (3)：
- Phe-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Phe-OH
- (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-フェニルプロパンアミド]-4-カルボキシブタンアミド]-3-フェニルプロパンアミド]-4-カルボキシブタンアミド]-3-フェニルプロパンアミド]-4-カルボキシブタンアミド]-3-フェニルプロパンアミド]-4-カルボキシブタンアミド]-3-フェニルプロパンアミド]-4-{[(1S)-1-カルボキシ-2-フェニルエチル]カルバモイル}ブタン酸
- (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-phenylpropanamido]-4-carboxybutanamido]-3-phenylpropanamido]-4-carboxybutanamido]-3-phenylpropanamido]-4-carboxybutanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid
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