5′-Des-O-methylharringtonine
HIT217584302
sdf文件结构编辑类似物检索
HIT ID: HIT217584302
Cas No: 182325-73-1
分子式: C27H35NO9
分子量: 517.575
常用名: 5′-Des-O-methylharringtonine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3R)-3,6-dihydroxy-3-({[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6}.0^{6,10}.0^{15,19}]icosa-1(13),4,14,19-tetraen-3-yl]oxy}carbonyl)-6-methylheptanoic acid
IUPAC: (3R)-3,6-dihydroxy-3-({[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6}.0^{6,10}.0^{15,19}]icosa-1(13),4,14,19-tetraen-3-yl]oxy}carbonyl)-6-methylheptanoic acid
SMILES: [H][C@@]12[C@H](OC(=O)[C@@](O)(CCC(C)(C)O)CC(O)=O)C(OC)=C[C@@]11CCCN1CCc1cc3OCOc3cc21
SMILES: [H][C@@]12[C@H](OC(=O)[C@@](O)(CCC(C)(C)O)CC(O)=O)C(OC)=C[C@@]11CCCN1CCc1cc3OCOc3cc21
InChI key: GSBQSICGIBSDBW-JUIYCPNDSA-N
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SC
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Mcule
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