Name: SC691
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772275
Cas No:2577994-10-4
常用名:SC691
IUPAC:(2S)-2-({[(1S)-1-carboxy-5-[N-(5-{4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanamido}pentyl)-1-(4-iodophenyl)formamido]pentyl]carbamoyl}amino)pentanedioic acid
IUPAC:(2S)-2-({[(1S)-1-carboxy-5-[N-(5-{4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanamido}pentyl)-1-(4-iodophenyl)formamido]pentyl]carbamoyl}amino)pentanedioic acid
InChI key:InChIKey=NAOGWNWKDJJNLK-KOPQTXDBSA-N

分子式:C43H65IN8O17
分子量:1092.936
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(CCCCCNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
SMILES:OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(CCCCCNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)c1ccc(I)cc1)C(O)=O)C(O)=O

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