Name: EE 581
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319412
Cas No:141949-00-0
常用名:EE 581
别名:EE-581, EE581
IUPAC:19-[2-amino-3-(4-azidophenyl)propanamido]-10-(4-aminobutyl)-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
IUPAC:19-[2-amino-3-(4-azidophenyl)propanamido]-10-(4-aminobutyl)-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
InChI key:HJHBLCDZZRXOSE-UHFFFAOYSA-N

分子式:C49H65N13O11S2
分子量:1076.26
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccc(cc2)N=[N+]=[N-])C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1
SMILES:CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccc(cc2)N=[N+]=[N-])C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1

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