Chem
J-GLOBAL ID：200907001530347482
Nikkaji number：J351.689J
Endothelin(16-21)
エンドセリン(16-21)
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： C39H57N9O9
Molecular formula furigana： C39-H57-N9-O9
Molecular weight： 795.939
InChI：
InChI=1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
InChI key：
NTSBFTNRWQVBCA-IVGDYKFASA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Systematic name (3)：
- L-His-L-Leu-L-Asp-L-Ile-L-Ile-L-Trp-OH
- (3S)-3-[(2S)-2-[(2S)-2-アミノ-3-(1H-イミダゾール-4-イル)プロパンアミド]-4-メチルペンタンアミド]-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-カルボキシ-2-(1H-インドール-3-イル)エチル]カルバモイル}-2-メチルブチル]カルバモイル}-2-メチルブチル]カルバモイル}プロパン酸
- (3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid
- エンドテリン(16-21)
- Endothelin(16-21)
- エンドセリン(16-21)
- エンドセリン1(16-21)
- Endothelin 1(16-21)
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