Name: FC131
Rating: 5 (10 reviews)

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HIT ID:HIT212709004
Cas No:606968-52-9
常用名:FC131
别名:FC 131
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
InChI key:MBXBICVKLVYNKD-XFTNXAEASA-N

分子式:C36H47N11O6
分子量:729.843
氢键供体数 (HBD):12
氢键受体数 (HBA):12
LogP:-2.5567415
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

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