Name: CGP 23996
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319202
Cas No:86170-12-9
常用名:CGP 23996
别名:CGP-23996, CGP23996
IUPAC:(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-2,17-bis(4-aminobutyl)-8,11-dibenzyl-5-(carbamoylmethyl)-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-14-[(1H-indol-3-yl)methyl]-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclooctatriacontane-32-carboxylic acid
IUPAC:(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-2,17-bis(4-aminobutyl)-8,11-dibenzyl-5-(carbamoylmethyl)-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-14-[(1H-indol-3-yl)methyl]-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclooctatriacontane-32-carboxylic acid
InChI key:HTEPNQQGQXAYEW-MTBXKZQJSA-N

分子式:C73H99N15O18
分子量:1474.682
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)[C@@H](C)O)C(O)=O)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)[C@@H](C)O)C(O)=O)[C@@H](C)O

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