Name: alpha-Endorphin acetate
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213840564
Cas No:
常用名:alpha-Endorphin acetate
别名:α-内啡肽, alpha-Endorphin acetate (59004-96-5 Free base)
别名:α-内啡肽, alpha-Endorphin acetate (59004-96-5 Free base)
IUPAC:4-{[5-amino-1-({1-[(3-carbamoyl-1-{[1-(2-{[1-({1-[(1-carboxy-2-hydroxypropyl)carbamoyl]-2-methylpropyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]carbamoyl}propyl)carbamoyl]-2-hydroxyethyl}carbamoyl)pentyl]carbamoyl}-4-[2-(2-{2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanamido}-3-hydroxybutanamido)-3-hydroxypropanamido]butanoic acid; acetic acid
IUPAC:4-{[5-amino-1-({1-[(3-carbamoyl-1-{[1-(2-{[1-({1-[(1-carboxy-2-hydroxypropyl)carbamoyl]-2-methylpropyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]carbamoyl}propyl)carbamoyl]-2-hydroxyethyl}carbamoyl)pentyl]carbamoyl}-4-[2-(2-{2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanamido}-3-hydroxybutanamido)-3-hydroxypropanamido]butanoic acid; acetic acid
InChI key:OCEUVIKOHUJZBP-UHFFFAOYSA-N

分子式:C79H124N18O28S
分子量:1806.02
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(O)=O
SMILES:CC(O)=O.CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(O)=O

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