Name: Angiotensin 1/2 (1-9)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212655956
Cas No:34273-12-6
常用名:Angiotensin 1/2 (1-9)
IUPAC:3-amino-3-({4-carbamimidamido-1-[(1-{[1-({1-[(1-{2-[(1-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-phenylethyl)carbamoyl]pyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]butyl}carbamoyl)propanoic acid
IUPAC:3-amino-3-({4-carbamimidamido-1-[(1-{[1-({1-[(1-{2-[(1-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-phenylethyl)carbamoyl]pyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]butyl}carbamoyl)propanoic acid
InChI key:LJXGOQOPNPFXFT-UHFFFAOYSA-N

分子式:C56H78N16O13
分子量:1183.339
氢键供体数 (HBD):16
氢键受体数 (HBA):19
LogP:-6.613541
SMILES:CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(O)=O
SMILES:CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(O)=O

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