Symlandine
HIT214312420
sdf文件结构编辑类似物检索
HIT ID: HIT214312420
Cas No: 74410-74-5
分子式: C20H31NO6
分子量: 381.469
常用名: Symlandine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,7aR)-7-({[(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2Z)-2-methylbut-2-enoate
IUPAC: (1R,7aR)-7-({[(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2Z)-2-methylbut-2-enoate
SMILES: C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 |t:12|
SMILES: C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 |t:12|
InChI key: MVWPTZQHBOWRTF-QKJMJVMDSA-N
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