Name: [Sar1, Ile8]-Angiotensin II
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212658711
Cas No:37827-06-8
常用名:[Sar1, Ile8]-Angiotensin II
IUPAC:2-{[1-(2-{2-[2-(2-{5-carbamimidamido-2-[2-(methylamino)acetamido]pentanamido}-3-methylbutanamido)-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido}-3-(1H-imidazol-5-yl)propanoyl)pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
IUPAC:2-{[1-(2-{2-[2-(2-{5-carbamimidamido-2-[2-(methylamino)acetamido]pentanamido}-3-methylbutanamido)-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido}-3-(1H-imidazol-5-yl)propanoyl)pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
InChI key:ZVUNAQTWOGAJRE-UHFFFAOYSA-N

分子式:C46H73N13O10
分子量:968.171
氢键供体数 (HBD):13
氢键受体数 (HBA):15
LogP:-2.8531675
SMILES:CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)CNC)C(C)C)C(C)CC)C(O)=O
SMILES:CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)CNC)C(C)C)C(C)CC)C(O)=O

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