Name: Polymyxin S1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619356
Cas No:63700-38-9
常用名:Polymyxin S1
IUPAC:N-[3-amino-1-({2-hydroxy-1-[(2-hydroxy-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}ethyl)carbamoyl]propyl}carbamoyl)propyl]-6-methyloctanamide
IUPAC:N-[3-amino-1-({2-hydroxy-1-[(2-hydroxy-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}ethyl)carbamoyl]propyl}carbamoyl)propyl]-6-methyloctanamide
InChI key:InChIKey=QKTORMYLLAWGLE-UHFFFAOYSA-N

分子式:C53H91N15O15
分子量:1178.401
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O)C(C)O
SMILES:CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O)C(C)O

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