FR054
HIT213890979
sdf文件结构编辑类似物检索
HIT ID: HIT213890979
Cas No: 35954-65-5
分子式: C28H37N2O16
分子量: 657.602
常用名: FR054
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(3aR,5R,6S,7R,7aR)-6,7-bis(acetyloxy)-2-methyl-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl 2-[(1-{[(3aR,5R,6S,7R,7aR)-6,7-bis(acetyloxy)-2-methyl-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy}ethylidene)oxo]acetate
IUPAC: [(3aR,5R,6S,7R,7aR)-6,7-bis(acetyloxy)-2-methyl-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl 2-[(1-{[(3aR,5R,6S,7R,7aR)-6,7-bis(acetyloxy)-2-methyl-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy}ethylidene)oxo]acetate
SMILES: CC(=O)O[C@@H]1[C@H]2N=C(C)O[C@H]2O[C@H](COC(=O)C[O]=C(C)OC[C@H]2O[C@@H]3OC(C)=N[C@@H]3[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H]1OC(C)=O |w:18.18,c:29,t:6|
SMILES: CC(=O)O[C@@H]1[C@H]2N=C(C)O[C@H]2O[C@H](COC(=O)C[O]=C(C)OC[C@H]2O[C@@H]3OC(C)=N[C@@H]3[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H]1OC(C)=O |w:18.18,c:29,t:6|
InChI key: MHJKXLNPMHWYKI-JYPALCKESA-N
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