Chem
J-GLOBAL ID：200907045968810239
Nikkaji number：J1.472.625J
Pro-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Pro-OH
Pro-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Pro-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： C71H87N11O22
Molecular formula furigana： C71-H87-N11-O22
Molecular weight： 1446.532
InChI：
InChI=1S/C71H87N11O22/c83-56(84)30-25-46(73-61(93)45-23-13-35-72-45)62(94)78-51(37-41-15-5-1-6-16-41)66(98)74-47(26-31-57(85)86)63(95)79-52(38-42-17-7-2-8-18-42)67(99)75-48(27-32-58(87)88)64(96)80-53(39-43-19-9-3-10-20-43)68(100)76-49(28-33-59(89)90)65(97)81-54(40-44-21-11-4-12-22-44)69(101)77-50(29-34-60(91)92)70(102)82-36-14-24-55(82)71(103)104/h1-12,15-22,45-55,72H,13-14,23-40H2,(H,73,93)(H,74,98)(H,75,99)(H,76,100)(H,77,101)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,103,104)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
InChI key：
CLXPACVVSZHDGN-OVQKSSPKSA-N
SMILES：
OC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)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)N1CCC[C@H]1C(=O)O
Systematic name (3)：
- Pro-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Phe-Glu-Pro-OH
- (2S)-1-[(2S)-4-カルボキシ-2-[(2S)-2-[(2S)-4-カルボキシ-2-[(2S)-2-[(2S)-4-カルボキシ-2-[(2S)-2-[(2S)-4-カルボキシ-2-[(2S)-2-[(2S)-4-カルボキシ-2-{[(2S)-ピロリジン-2-イル]ホルムアミド}ブタンアミド]-3-フェニルプロパンアミド]ブタンアミド]-3-フェニルプロパンアミド]ブタンアミド]-3-フェニルプロパンアミド]ブタンアミド]-3-フェニルプロパンアミド]ブタノイル]ピロリジン-2-カルボン酸
- (2S)-1-[(2S)-4-carboxy-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-2-[(2S)-4-carboxy-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]-3-phenylpropanamido]butanamido]-3-phenylpropanamido]butanamido]-3-phenylpropanamido]butanamido]-3-phenylpropanamido]butanoyl]pyrrolidine-2-carboxylic acid
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