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HIT220772802
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HIT220772802
  • HIT ID:HIT220772802
  • Cas No:3025787-70-3
  • 常用名:Mal-PEG8-Val-Cit-Exatecan
  • IUPAC:1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
    IUPAC:1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
  • InChI key:InChIKey=WVZJKDYLENRLPP-KJUCRIQOSA-N
  • 分子式:C58H78FN7O18
  • 分子量:1180.291
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN6C(=O)C=CC6=O)C(C)C)c(c3Cn1c2=O)c45
    SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN6C(=O)C=CC6=O)C(C)C)c(c3Cn1c2=O)c45
  • Mal-PEG8-Val-Cit-Exatecan (Compound 1033) 是一种由Exatecan和连接子组成的ADC药物-连接子偶联物 (Drug-Linker Conjugates for ADC)。Mal-PEG8-Val-Cit-Exatecan 可用于ADC的合成。
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