KT5926
HIT212689417
sdf文件结构编辑类似物检索
HIT ID: HIT212689417
Cas No: 126643-38-7
分子式: C30H27N3O6
分子量: 525.561
常用名: KT5926
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 4.2048664
IUPAC: methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-16-carboxylate
IUPAC: methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-16-carboxylate
SMILES: [H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5cc(OCCC)ccc5n2c4c13
SMILES: [H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5cc(OCCC)ccc5n2c4c13
InChI key: ZZWAFVPZTZSAEM-RIGQTMPJSA-N
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