Name: CL2-MMT-SN38
Rating: 5 (10 reviews)

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HIT ID:HIT214322227
Cas No:1084888-82-3
常用名:CL2-MMT-SN38
别名:CL2-MMT-SN38
IUPAC:(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl {4-[(2S)-2-[(2S)-2-(2-{[(26-{4-[({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)methyl]-1H-1,2,3-triazol-1-yl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetamido)-3-phenylpropanamido]-6-{[(4-methoxyphenyl)diphenylmethyl]amino}hexanamido]phenyl}methyl carbonate
IUPAC:(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl {4-[(2S)-2-[(2S)-2-(2-{[(26-{4-[({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)methyl]-1H-1,2,3-triazol-1-yl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetamido)-3-phenylpropanamido]-6-{[(4-methoxyphenyl)diphenylmethyl]amino}hexanamido]phenyl}methyl carbonate
InChI key:VBYLWGSFLJAJSE-WSVVYDBCSA-N

分子式:C102H122N12O24
分子量:1900.158
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)OCc4ccc(NC(=O)[C@H](CCCCNC(c5ccccc5)(c5ccccc5)c5ccc(OC)cc5)NC(=O)[C@H](Cc5ccccc5)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn5cc(CNC(=O)C6CCC(CN7C(=O)C=CC7=O)CC6)nn5)cc4)c3=O)-c2nc2ccc(O)cc12 |c:122|
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)OCc4ccc(NC(=O)[C@H](CCCCNC(c5ccccc5)(c5ccccc5)c5ccc(OC)cc5)NC(=O)[C@H](Cc5ccccc5)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn5cc(CNC(=O)C6CCC(CN7C(=O)C=CC7=O)CC6)nn5)cc4)c3=O)-c2nc2ccc(O)cc12 |c:122|

CL2-MMT-SN38 is a derivative of SN-38, which is a potent anticancer agent and the active metabolite of Irinotecan (CPT-11), a Topoisomerase I inhibitor.

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