Name: Nonapeptide-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212658699
Cas No:158563-45-2
常用名:Nonapeptide-1
别名:九胜肽-1, Met-Pro-D-Phe-Arg-D-Trp-Phe-Lys-Pro-Val-, Melanostatine™ 5
别名:九胜肽-1, Met-Pro-D-Phe-Arg-D-Trp-Phe-Lys-Pro-Val-, Melanostatine™ 5
IUPAC:N-[1-({1-[(6-amino-1-{2-[(1-carbamoyl-2-methylpropyl)carbamoyl]pyrrolidin-1-yl}-1-oxohexan-2-yl)carbamoyl]-2-phenylethyl}carbamoyl)-2-(1H-indol-3-yl)ethyl]-2-[2-({1-[2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanamido]-5-carbamimidamidopentanamide
IUPAC:N-[1-({1-[(6-amino-1-{2-[(1-carbamoyl-2-methylpropyl)carbamoyl]pyrrolidin-1-yl}-1-oxohexan-2-yl)carbamoyl]-2-phenylethyl}carbamoyl)-2-(1H-indol-3-yl)ethyl]-2-[2-({1-[2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanamido]-5-carbamimidamidopentanamide
InChI key:KNFLNGRLKALWRF-UHFFFAOYSA-N

分子式:C61H87N15O9S
分子量:1206.52
氢键供体数 (HBD):13
氢键受体数 (HBA):14
LogP:-0.101849094
SMILES:CSCCC(N)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C(C)C)C(N)=O
SMILES:CSCCC(N)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C(C)C)C(N)=O

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