CL2A-SN-38 DCA 1279680-68-0(free base)
HIT212659659
sdf文件结构编辑类似物检索
HIT ID: HIT212659659
Cas No: T17731L
分子式: C77H101Cl4N11O26
分子量: 1738.51
常用名: CL2A-SN-38 DCA 1279680-68-0(free base)
常用名: CL2A-SN-38 DCA 1279680-68-0(free base)
氢键受体数 (HBA): 24
氢键供体数 (HBD): 6
LogP: 0.82493764
IUPAC: bis(2,2-dichloroacetic acid); {4-[(2S)-6-amino-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)hexanamido]phenyl}methyl (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 carbonate
IUPAC: bis(2,2-dichloroacetic acid); {4-[(2S)-6-amino-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)hexanamido]phenyl}methyl (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 carbonate
SMILES: OC(=O)C(Cl)Cl.OC(=O)C(Cl)Cl.CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)OCc4ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn5cc(CNC(=O)C6CCC(CN7C(=O)C=CC7=O)CC6)nn5)cc4)c3=O)-c2nc2ccc(O)cc12 |c:96|
SMILES: OC(=O)C(Cl)Cl.OC(=O)C(Cl)Cl.CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)OCc4ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn5cc(CNC(=O)C6CCC(CN7C(=O)C=CC7=O)CC6)nn5)cc4)c3=O)-c2nc2ccc(O)cc12 |c:96|
InChI key: WWSNNYDLXHTRLZ-JGQYWRMXSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
2761-3天 购物车
Mcule
SC
15954-5周 购物车
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