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HIT217583167
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HIT217583167
  • HIT ID:HIT217583167
  • Cas No:2210247-59-7
  • 常用名:{4-[(2S)-2-[(2S)-2-{1-[3-(2,5-dioxopyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amido}-3-methylbutanamido]propanamido]phenyl}methyl 4-nitrophenyl carbonate
    常用名:{4-[(2S)-2-[(2S)-2-{1-[3-(2,5-dioxopyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amido}-3-methylbutanamido]propanamido]phenyl}methyl 4-nitrophenyl carbonate
  • IUPAC:{4-[(2S)-2-[(2S)-2-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amido}-3-methylbutanamido]propanamido]phenyl}methyl 4-nitrophenyl carbonate
    IUPAC:{4-[(2S)-2-[(2S)-2-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amido}-3-methylbutanamido]propanamido]phenyl}methyl 4-nitrophenyl carbonate
  • InChI key:XKNFUEHAHZGFPB-PXQFAMQDSA-N
  • 分子式:C48H68N6O19
  • 分子量:1033.095
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)N(=O)=O)cc1
    SMILES:CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)N(=O)=O)cc1
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