Name: IPG-2 AM
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218887382
Cas No:1369302-24-8
常用名:IPG-2 AM
别名:APG-2 Acetoxymethyl ester
IUPAC:(acetyloxy)methyl 3-{6-[(acetyloxy)methoxy]-7-{3-[(acetyloxy)methoxy]-3-oxopropyl}-4,5-dichloro-9-{3-methoxy-4-[16-(2-methoxy-4-methylphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]phenyl}-3-oxo-3H-xanthen-2-yl}propanoate
IUPAC:(acetyloxy)methyl 3-{6-[(acetyloxy)methoxy]-7-{3-[(acetyloxy)methoxy]-3-oxopropyl}-4,5-dichloro-9-{3-methoxy-4-[16-(2-methoxy-4-methylphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]phenyl}-3-oxo-3H-xanthen-2-yl}propanoate
InChI key:FLNBWSAACUIXPZ-UHFFFAOYSA-N

分子式:C55H64Cl2N2O19
分子量:1128.01
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(C)ccc1N1CCOCCOCCN(CCOCCOCC1)c1ccc(cc1OC)-c1c2cc(CCC(=O)OCOC(C)=O)c(OCOC(C)=O)c(Cl)c2oc2c(Cl)c(=O)c(CCC(=O)OCOC(C)=O)cc12
SMILES:COc1cc(C)ccc1N1CCOCCOCCN(CCOCCOCC1)c1ccc(cc1OC)-c1c2cc(CCC(=O)OCOC(C)=O)c(OCOC(C)=O)c(Cl)c2oc2c(Cl)c(=O)c(CCC(=O)OCOC(C)=O)cc12

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