DOTA-PEG5-azide
HIT212667647
sdf文件结构编辑类似物检索
HIT ID: HIT212667647
Cas No:
分子式: C28H52N8O12
分子量: 692.768
常用名: DOTA-PEG5-azide
氢键受体数 (HBA): 18
氢键供体数 (HBD): 4
LogP: -8.931795
IUPAC: 2-(4-{[(17-azido-3,6,9,12,15-pentaoxaheptadecan-1-yl)carbamoyl]methyl}-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid
IUPAC: 2-(4-{[(17-azido-3,6,9,12,15-pentaoxaheptadecan-1-yl)carbamoyl]methyl}-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid
SMILES: OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-])CCN(CC(O)=O)CC1
SMILES: OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-])CCN(CC(O)=O)CC1
InChI key: HCVDFVATJBFZPK-UHFFFAOYSA-N
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