14-{[2-(4-amino-4-carboxybutanamido)-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}-15-hydroxyicosa-5,8,10,12-tetraenoic acid, 14,15-Leukotriene C4
HIT218832595
sdf文件结构编辑类似物检索
HIT ID: HIT218832595
Cas No:
分子式: C30H47N3O9S
分子量: 625.78
常用名: 14-{[2-(4-amino-4-carboxybutanamido)-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}-15-hydroxyicosa-5,8,10,12-tetraenoic acid, 14,15-Leukotriene C4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 14-{[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-15-hydroxyicosa-5,8,10,12-tetraenoic acid
SMILES: CCCCCC(O)C(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C=CC=CC=CCC=CCCCC(O)=O
InChI key: OBQVBASHEWLKCQ-UHFFFAOYSA-N
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