Name: cyclo(RLsKDK) TFA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219156879
Cas No:
常用名:cyclo(RLsKDK) TFA
别名:BK-1361 TFA, BK1361 TFA
IUPAC:2-[(2S,5S,8S,11S,14R,17S)-5,17-bis(4-aminobutyl)-8-{3-[(diaminomethylidene)amino]propyl}-14-(hydroxymethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]acetic acid; trifluoroacetic acid
IUPAC:2-[(2S,5S,8S,11S,14R,17S)-5,17-bis(4-aminobutyl)-8-{3-[(diaminomethylidene)amino]propyl}-14-(hydroxymethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]acetic acid; trifluoroacetic acid
InChI key:HZBQMHHFVWPPCH-PJJIVLHTSA-N

分子式:C33H58F3N11O11
分子量:841.888
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC1=O
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC1=O

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