Name: TAMRA-probe 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672718
Cas No:
常用名:TAMRA-probe 1
IUPAC:N-[(1S)-5-amino-1-{[2-(3-methyl-3H-diazirin-3-yl)ethyl]carbamoyl}pentyl]-1-{[3',6'-bis(dimethylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]formamido}-3,6,9,12-tetraoxapentadecan-15-amide
IUPAC:N-[(1S)-5-amino-1-{[2-(3-methyl-3H-diazirin-3-yl)ethyl]carbamoyl}pentyl]-1-{[3',6'-bis(dimethylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]formamido}-3,6,9,12-tetraoxapentadecan-15-amide
InChI key:KCQBLYDDIQCIKY-LHEWISCISA-N

分子式:C46H62N8O10
分子量:887.048
氢键供体数 (HBD):4
氢键受体数 (HBA):13
LogP:2.7499228
SMILES:CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCN)C(=O)NCCC2(C)N=N2)N(C)C)c1 |c:62|
SMILES:CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCN)C(=O)NCCC2(C)N=N2)N(C)C)c1 |c:62|

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