Name: L 693989
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218886890
Cas No:
常用名:L 693989
别名:L-693989, L693989, L-693,989, L693,989, L 693,989
别名:L-693989, L693989, L-693,989, L693,989, L 693,989
IUPAC:sodium 4-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-18-[(10R,12S)-10,12-dimethyltetradecanamido]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-6-yl]-1,2-dihydroxyethyl]phenyl hydrogen phosphate
IUPAC:sodium 4-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-18-[(10R,12S)-10,12-dimethyltetradecanamido]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-6-yl]-1,2-dihydroxyethyl]phenyl hydrogen phosphate
InChI key:VAHIZUPRWJROTF-UPXQYWNGSA-M

分子式:C50H80N8NaO20P
分子量:1167.19
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(OP(O)([O-])=O)cc1)[C@H](O)CC(N)=O)NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)[C@@H](C)O
SMILES:[Na+].[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(OP(O)([O-])=O)cc1)[C@H](O)CC(N)=O)NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)[C@@H](C)O

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