FC131
HIT212709004
sdf文件结构编辑类似物检索
HIT ID: HIT212709004
Cas No: 606968-52-9
分子式: C36H47N11O6
分子量: 729.843
常用名: FC131
氢键受体数 (HBA): 12
氢键供体数 (HBD): 12
LogP: -2.5567415
IUPAC: N''-{3-[(2S,5S,8S,14R)-5-{3-[(diaminomethylidene)amino]propyl}-14-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-2-yl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]propyl}guanidine
IUPAC: N''-{3-[(2S,5S,8S,14R)-5-{3-[(diaminomethylidene)amino]propyl}-14-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-2-yl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]propyl}guanidine
SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O
SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O
InChI key: MBXBICVKLVYNKD-XFTNXAEASA-N
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