Name: Eledoisin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212661306
Cas No:69-25-0
常用名:Eledoisin
别名:依来多辛, Eledone peptide
IUPAC:3-[6-amino-2-(3-hydroxy-2-{[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidin-2-yl]formamido}propanamido)hexanamido]-3-({1-[(1-{[1-({[(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]methyl}carbamoyl)-2-methylbutyl]carbamoyl}-2-phenylethyl)carbamoyl]ethyl}carbamoyl)propanoic acid
IUPAC:3-[6-amino-2-(3-hydroxy-2-{[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidin-2-yl]formamido}propanamido)hexanamido]-3-({1-[(1-{[1-({[(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]methyl}carbamoyl)-2-methylbutyl]carbamoyl}-2-phenylethyl)carbamoyl]ethyl}carbamoyl)propanoic acid
InChI key:AYLPVIWBPZMVSH-UHFFFAOYSA-N

分子式:C54H85N13O15S
分子量:1188.41
氢键供体数 (HBD):14
氢键受体数 (HBA):16
LogP:-6.547631
SMILES:CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C1CCC(=O)N1)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(N)=O
SMILES:CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C1CCC(=O)N1)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(N)=O

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