PZ-285
HIT212713405
sdf文件结构编辑类似物检索
HIT ID: HIT212713405
Cas No:
分子式: C42H50N8O14
分子量: 890.904
常用名: PZ-285
氢键受体数 (HBA): 20
氢键供体数 (HBD): 4
LogP: 4.264545
IUPAC: 2-[(6R,7R,15R,16R,24R,25R)-35-(2-hydroxyethyl)-6,7,15,16,24,25-hexamethoxy-6,7,15,16,24,25-hexamethyl-5,8,14,17,23,26-hexaoxa-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1^{3,10}.1^{12,19}.1^{21,28}.0^{4,9}.0^{13,18}.0^{22,27}.0^{31,36}]tetraconta-1,3,9,11,13(18),19(39),20,22(27),28,30(37),31(36),32,34-tridecaen-32-yl]ethan-1-ol
IUPAC: 2-[(6R,7R,15R,16R,24R,25R)-35-(2-hydroxyethyl)-6,7,15,16,24,25-hexamethoxy-6,7,15,16,24,25-hexamethyl-5,8,14,17,23,26-hexaoxa-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1^{3,10}.1^{12,19}.1^{21,28}.0^{4,9}.0^{13,18}.0^{22,27}.0^{31,36}]tetraconta-1,3,9,11,13(18),19(39),20,22(27),28,30(37),31(36),32,34-tridecaen-32-yl]ethan-1-ol
SMILES: CO[C@]1(C)Oc2c(O[C@@]1(C)OC)c1nc2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1O[C@@](C)(OC)[C@](C)(OC)Oc41)c1c(CCO)ccc(CCO)c31)c1O[C@@](C)(OC)[C@](C)(OC)Oc21
SMILES: CO[C@]1(C)Oc2c(O[C@@]1(C)OC)c1nc2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1O[C@@](C)(OC)[C@](C)(OC)Oc41)c1c(CCO)ccc(CCO)c31)c1O[C@@](C)(OC)[C@](C)(OC)Oc21
InChI key: PURPDMVLMICIQP-GIEDQAFWSA-N
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