DOTA Zoledronate
HIT214322877
sdf文件结构编辑类似物检索
HIT ID: HIT214322877
Cas No: 1908409-18-6
分子式: C23H41N7O14P2
分子量: 701.564
常用名: DOTA Zoledronate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[4,7-bis(carboxymethyl)-10-[({2-[1-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-4-yl]ethyl}carbamoyl)methyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
IUPAC: 2-[4,7-bis(carboxymethyl)-10-[({2-[1-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-4-yl]ethyl}carbamoyl)methyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
SMILES: OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCc2cn(CC(O)(P(O)(O)=O)P(O)(O)=O)cn2)CCN(CC(O)=O)CC1
SMILES: OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCc2cn(CC(O)(P(O)(O)=O)P(O)(O)=O)cn2)CCN(CC(O)=O)CC1
InChI key: BRTYHOUKEJCOEE-UHFFFAOYSA-N
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