O-Desmethyl Midostaurin-d5
HIT218849451
sdf文件结构编辑类似物检索
HIT ID: HIT218849451
Cas No:
分子式: C34H28N4O4
分子量: 561.653
常用名: O-Desmethyl Midostaurin-d5
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(2S,3R,4R,6R)-3-hydroxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N-methyl(2H5)benzamide
IUPAC: N-[(2S,3R,4R,6R)-3-hydroxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N-methyl(2H5)benzamide
SMILES: [2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(=O)N(C)[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
SMILES: [2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(=O)N(C)[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
InChI key: PXOCRDZEEXVZQC-CANNTNAISA-N
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