Avrainvillamide
HIT212038744
sdf文件结构编辑类似物检索
HIT ID: HIT212038744
Cas No: 269741-97-1
分子式: C26H27N3O4
分子量: 445.519
常用名: Avrainvillamide
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: -0.22968642
IUPAC: 9,9,16,16-tetramethyl-24,26-dioxo-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0^{1,17}.0^{3,15}.0^{4,13}.0^{7,12}.0^{19,23}]hexacosa-2,4,6,10,12,14-hexaen-14-ium-14-olate
IUPAC: 9,9,16,16-tetramethyl-24,26-dioxo-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0^{1,17}.0^{3,15}.0^{4,13}.0^{7,12}.0^{19,23}]hexacosa-2,4,6,10,12,14-hexaen-14-ium-14-olate
SMILES: CC1(C)Oc2ccc3C4=CC56NC(=O)C7(CCCN7C5=O)CC6C(C)(C)C4=[N+]([O-])c3c2C=C1 |c:37,t:8,30,TLB:23:22:11.12:18.19,THB:17:18:11.12:22.21|
SMILES: CC1(C)Oc2ccc3C4=CC56NC(=O)C7(CCCN7C5=O)CC6C(C)(C)C4=[N+]([O-])c3c2C=C1 |c:37,t:8,30,TLB:23:22:11.12:18.19,THB:17:18:11.12:22.21|
InChI key: ALXLLOQTGLPCFG-UHFFFAOYSA-N
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