Name: Calcium Green BAPTA-2 AM
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218847672
Cas No:163634-11-5
常用名:Calcium Green BAPTA-2 AM
IUPAC:(acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}(4-{[3',6'-bis(acetyloxy)-2',7'-dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]amido}-2-[2-(5-{[3',6'-bis(acetyloxy)-2',7'-dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]amido}-2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy)ethoxy]phenyl)amino)acetate
IUPAC:(acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}(4-{[3',6'-bis(acetyloxy)-2',7'-dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]amido}-2-[2-(5-{[3',6'-bis(acetyloxy)-2',7'-dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]amido}-2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy)ethoxy]phenyl)amino)acetate
InChI key:RGPPEFZGTIEWSE-UHFFFAOYSA-N

分子式:C84H66Cl4N4O34
分子量:1817.25
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c(OC(C)=O)cc3Oc3cc(OC(C)=O)c(Cl)cc23)cc1OCCOc1cc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c(OC(C)=O)cc3Oc3cc(OC(C)=O)c(Cl)cc23)ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
SMILES:CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c(OC(C)=O)cc3Oc3cc(OC(C)=O)c(Cl)cc23)cc1OCCOc1cc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c(OC(C)=O)cc3Oc3cc(OC(C)=O)c(Cl)cc23)ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O

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