PG106
HIT218852028
sdf文件结构编辑类似物检索
HIT ID: HIT218852028
Cas No: 944111-22-2
分子式: C51H69N13O9
分子量: 1008.195
常用名: PG106
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,6S,9R,16S,24S)-6-(3-carbamimidamidopropyl)-16-[(2S)-2-acetamidohexanamido]-3-[(1H-indol-3-yl)methyl]-9-[(naphthalen-2-yl)methyl]-2,5,8,11,15,18-hexaoxo-1,4,7,10,14,19-hexaazacyclotetracosane-24-carboxamide
IUPAC: (3S,6S,9R,16S,24S)-6-(3-carbamimidamidopropyl)-16-[(2S)-2-acetamidohexanamido]-3-[(1H-indol-3-yl)methyl]-9-[(naphthalen-2-yl)methyl]-2,5,8,11,15,18-hexaoxo-1,4,7,10,14,19-hexaazacyclotetracosane-24-carboxamide
SMILES: CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCNC1=O)C(N)=O
SMILES: CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCNC1=O)C(N)=O
InChI key: ZFZDDBJAFMOQSH-PHHHQBPDSA-N
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