基本情報
- 標準SMILES
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
OIXQINQYMGNCII-YRVFCXMDSA-N- 分子式
- C49H62N10O13S2
- 平均分子量
- 1,063.2 g/mol
概要
Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2 is an eight-membered oligopeptide consisting of Asp, Tyr, Met, Gly, Trp, Met, As and Phe-NH2 residues joined in sequence. It has a role as a mouse metabolite, a human metabolite and a rat metabolite. It is a peptidyl amide and an oligopeptide.
名称と識別子
- 優先名称
- Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2
- IUPAC
- (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
名称と別名
Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2CHEBI:138169RefChem:1077297Cholecystokinin Octapeptide, desulfatedCholecystokinin Octapeptide (desulfated)H-ASP-TYR-MET-GLY-TRP-MET-ASP-PHE-NH2Desulfated CCK-8CHEMBL216166MFCD00076488(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acidCCK Octapeptide, desulfatedCCK(26-33) Desulfated
名称をさらに表示
C49H62N10O13S2Desulfated CCK8OIXQINQYMGNCII-YRVFCXMDSA-NDYMGWMDF-NH2orb1679173orb3053955SCHEMBL29367037HY-P0196
データベース識別子
- PubChem CID
- 444998
- ChEMBL
CHEMBL216166- ChEBI
CHEBI:138169- Nikkaji
- J351.719E
物性
構造計算による物性
- XLogP
- -2
- 極性表面積
- 434 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 16
- 回転可能結合数
- 31
- 重原子数
- 74
- 形式電荷
- 0
- 複雑度
- 1,920
関連反応
4 件
化合物ノート
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