Chem
J-GLOBAL ID：200907054543463186   Nikkaji number：J1.184.468E

EAH16-II

L-Ala-L-Glu-L-Ala-L-Glu-L-Ala-L-His-L-Ala-L-His-L-Ala-L-Glu-L-Ala-L-Glu-L-Ala-L-His-L-Ala-L-His-OH
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： C68H98N24O25
Molecular formula furigana： C68-H98-N24-O25
Molecular weight： 1651.675
InChI： InChI=1S/C68H98N24O25/c1-29(69)53(101)85-41(9-13-49(93)94)61(109)78-30(2)54(102)86-43(11-15-51(97)98)63(111)80-33(5)57(105)89-46(18-38-22-71-26-75-38)66(114)83-35(7)59(107)91-45(17-37-21-70-25-74-37)65(113)82-32(4)56(104)88-42(10-14-50(95)96)62(110)79-31(3)55(103)87-44(12-16-52(99)100)64(112)81-34(6)58(106)90-47(19-39-23-72-27-76-39)67(115)84-36(8)60(108)92-48(68(116)117)20-40-24-73-28-77-40/h21-36,41-48H,9-20,69H2,1-8H3,(H,70,74)(H,71,75)(H,72,76)(H,73,77)(H,78,109)(H,79,110)(H,80,111)(H,81,112)(H,82,113)(H,83,114)(H,84,115)(H,85,101)(H,86,102)(H,87,103)(H,88,104)(H,89,105)(H,90,106)(H,91,107)(H,92,108)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,116,117)/t29-,30-,31-,32-,33-,34-,35-,36-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChI key： NMGOQCMOGKEXKX-PDIRWOPJSA-N
SMILES： C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
Systematic name  (3)：
  • L-Ala-L-Glu-L-Ala-L-Glu-L-Ala-L-His-L-Ala-L-His-L-Ala-L-Glu-L-Ala-L-Glu-L-Ala-L-His-L-Ala-L-His-OH
  • (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノプロパンアミド]-4-カルボキシブタンアミド]プロパンアミド]-4-カルボキシブタンアミド]プロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]プロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]プロパンアミド]-4-カルボキシブタンアミド]プロパンアミド]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-カルボキシ-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}エチル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}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-[(2S)-2-[(2S)-2-aminopropanamido]-4-carboxybutanamido]propanamido]-4-carboxybutanamido]propanamido]-3-(1H-imidazol-4-yl)propanamido]propanamido]-3-(1H-imidazol-4-yl)propanamido]propanamido]-4-carboxybutanamido]propanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Other name (1)：
  • EAH16-II
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