LyP-1
HIT214323204
sdf文件结构编辑类似物检索
HIT ID: HIT214323204
Cas No: 454487-07-1
分子式: C36H65N17O12S2
分子量: 992.14
常用名: LyP-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4R,10S,13S,16S,19S,22S,28R)-28-amino-19-(4-aminobutyl)-10,16-bis(3-carbamimidamidopropyl)-22-(carbamoylmethyl)-13-[(1R)-1-hydroxyethyl]-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosane-4-carboxylic acid
IUPAC: (4R,10S,13S,16S,19S,22S,28R)-28-amino-19-(4-aminobutyl)-10,16-bis(3-carbamimidamidopropyl)-22-(carbamoylmethyl)-13-[(1R)-1-hydroxyethyl]-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosane-4-carboxylic acid
SMILES: [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)[C@@H](C)O
SMILES: [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)[C@@H](C)O
InChI key: CEKSIKGPDBMBEG-SLQNPQMPSA-N
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