AAL Toxin TB1
HIT214312296
sdf文件结构编辑类似物检索
HIT ID: HIT214312296
Cas No: 149849-90-1
分子式: C25H45NO9
分子量: 503.634
常用名: AAL Toxin TB1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{2-[(17-amino-4,14,16-trihydroxy-3,7-dimethylheptadecan-5-yl)oxy]-2-oxoethyl}butanedioate
IUPAC: 2-{2-[(17-amino-4,14,16-trihydroxy-3,7-dimethylheptadecan-5-yl)oxy]-2-oxoethyl}butanedioate
SMILES: CCC(C)C(O)C(CC(C)CCCCCCC(O)CC(O)CN)OC(=O)CC(CC([O-])=O)C([O-])=O
SMILES: CCC(C)C(O)C(CC(C)CCCCCCC(O)CC(O)CN)OC(=O)CC(CC([O-])=O)C([O-])=O
InChI key: CTXQVLLVFBNZKL-UHFFFAOYSA-L
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