Renin inhibitory peptide, statine

HCID 146807CAS 94162-23-9

基本情報

標準SMILES: CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@](C)(N)CC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey: SZMATORSVSGBIL-UHFFFAOYSA-N
分子式: C54H77N13O9
平均分子量: 1,052.3 g/mol

名称と識別子

優先名称: Renin inhibitory peptide, statine
IUPAC: (2S)-1-[(2S)-2-[[(2R)-2-amino-2-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S,3S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
英語名: renin inhibitory peptide, statine
分子式: C54H77N13O9
分子量: 1052.27

名称と別名

Renin inhibitory peptide, statineSCRIP94162-23-9Isovaleryl-histidyl-prolyl-phenylalanyl-histidyl-statine-leucyl-phenylalanineL-Phenylalaninamide, N-(3-hydroxy-4-((N-(N-(1-(N-L-isovalyl-L-histidyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-6-methyl-1-oxoheptyl)-L-isoleucyl-, (S-(R*,R*))-RefChem:178861(2S)-1-[(2S)-2-[[(2R)-2-amino-2-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S,3S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide(S)-N-((S)-1-(((S)-1-(((3S,4S)-1-(((2S,3S)-1-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-hydroxy-6-methyl-1-oxoheptan-4-yl)amino)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)-1-(((R)-2-amino-2-methylbutanoyl)-L-histidyl)pyrrolidine-2-carboxamideL-Phenylalaninamide, L-isovalyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-L-isoleucyl- (9CI)

データベース識別子

CAS: 94162-23-9
PubChem CID: 146807

物性

構造計算による物性

XLogP: 2.5
極性表面積: 342 Å²
水素結合供与体数: 11
水素結合受容体数: 12
回転可能結合数: 29
重原子数: 76
形式電荷: 0
複雑度: 1,940

物理化学的性質

沸点: 1469.593 · 1469.593±65.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.261 · 1.261±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
酸解離定数(Pka): 13.413 · 13.413±0.20(predicted)

化学と産業

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南京肽研生物科技有限公司19961912513; 19941518170 · [email protected]