Cy5-PEG3-endo-BCN
HIT217585098
sdf文件结构编辑类似物检索
HIT ID: HIT217585098
Cas No: 1881221-50-6
分子式: C51H69ClN4O6
分子量: 869.59
常用名: Cy5-PEG3-endo-BCN
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[5-({2-[2-(2-{2-[({[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)pentyl]-3,3-dimethyl-2-[5-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3H-indol-1-ium chloride
IUPAC: 1-[5-({2-[2-(2-{2-[({[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)pentyl]-3,3-dimethyl-2-[5-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3H-indol-1-ium chloride
SMILES: [Cl-].[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCOCCNC(=O)CCCCC[N+]1=C(C=CC=CC=C2N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
SMILES: [Cl-].[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCOCCNC(=O)CCCCC[N+]1=C(C=CC=CC=C2N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
InChI key: UTYIVQUUDQUWSP-RGKXZEBTSA-N
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