Name: (acetyloxy)methyl 3-{6-[(acetyloxy)methoxy]-7-{3-[(acetyloxy)methoxy]-3-oxopropyl}-4,5-dichloro-9-{4-[16-(4-formyl-2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methoxyphenyl}-3-oxoxanthen-2-yl}propanoate
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HIT ID:HIT219201113
Cas No:1369302-18-0
常用名:(acetyloxy)methyl 3-{6-[(acetyloxy)methoxy]-7-{3-[(acetyloxy)methoxy]-3-oxopropyl}-4,5-dichloro-9-{4-[16-(4-formyl-2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methoxyphenyl}-3-oxoxanthen-2-yl}propanoate
常用名:(acetyloxy)methyl 3-{6-[(acetyloxy)methoxy]-7-{3-[(acetyloxy)methoxy]-3-oxopropyl}-4,5-dichloro-9-{4-[16-(4-formyl-2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methoxyphenyl}-3-oxoxanthen-2-yl}propanoate
IUPAC:(acetyloxy)methyl 3-{6-[(acetyloxy)methoxy]-7-{3-[(acetyloxy)methoxy]-3-oxopropyl}-4,5-dichloro-9-{4-[16-(4-formyl-2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methoxyphenyl}-3-oxo-3H-xanthen-2-yl}propanoate
IUPAC:(acetyloxy)methyl 3-{6-[(acetyloxy)methoxy]-7-{3-[(acetyloxy)methoxy]-3-oxopropyl}-4,5-dichloro-9-{4-[16-(4-formyl-2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methoxyphenyl}-3-oxo-3H-xanthen-2-yl}propanoate
InChI key:CWVRLLIVPHASBB-UHFFFAOYSA-N

分子式:C55H62Cl2N2O20
分子量:1142
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(C=O)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=O)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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