DOTA-(t-butyl)3-PEG5-azide
HIT212667649
sdf文件结构编辑类似物检索
HIT ID: HIT212667649
Cas No:
分子式: C40H76N8O12
分子量: 861.092
常用名: DOTA-(t-butyl)3-PEG5-azide
氢键受体数 (HBA): 15
氢键供体数 (HBD): 1
LogP: 0.89817077
IUPAC: tert-butyl 2-(7-{[(17-azido-3,6,9,12,15-pentaoxaheptadecan-1-yl)carbamoyl]methyl}-4,10-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl)acetate
IUPAC: tert-butyl 2-(7-{[(17-azido-3,6,9,12,15-pentaoxaheptadecan-1-yl)carbamoyl]methyl}-4,10-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl)acetate
SMILES: CC(C)(C)OC(=O)CN1CCN(CC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-])CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1
SMILES: CC(C)(C)OC(=O)CN1CCN(CC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-])CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1
InChI key: ZAFZQMAHXFLVMX-UHFFFAOYSA-N
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