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HIT220772629
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HIT220772629
  • HIT ID:HIT220772629
  • Cas No:65057-90-1
  • 常用名:Talisomycin A
  • 别名:TLM A, Tallysomycin A
  • IUPAC:2-[(2-{2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-2-[(4-{[1-({1-[(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-2-[4-(4-{[4-amino-5-({3-[(4-aminobutyl)amino]propyl}carbamoyl)pentyl]carbamoyl}-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-2-hydroxyethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}-3-hydroxybutan-2-yl)carbamoyl]-1-(1H-imidazol-5-yl)ethoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate
    IUPAC:2-[(2-{2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-2-[(4-{[1-({1-[(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-2-[4-(4-{[4-amino-5-({3-[(4-aminobutyl)amino]propyl}carbamoyl)pentyl]carbamoyl}-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-2-hydroxyethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}-3-hydroxybutan-2-yl)carbamoyl]-1-(1H-imidazol-5-yl)ethoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate
  • InChI key:InChIKey=VUPBDWQPEOWRQP-UHFFFAOYSA-N
  • 分子式:C68H110N22O27S2
  • 分子量:1731.88
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(O)C(NC(=O)CC(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(N)=O)NCC(N)C(N)=O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1)C(=O)NC(OC1OC(C)C(N)C(O)C1O)C(O)c1nc(cs1)-c1nc(cs1)C(=O)NCCCC(N)CC(=O)NCCCNCCCCN
    SMILES:CC(O)C(NC(=O)CC(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(N)=O)NCC(N)C(N)=O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1)C(=O)NC(OC1OC(C)C(N)C(O)C1O)C(O)c1nc(cs1)-c1nc(cs1)C(=O)NCCCC(N)CC(=O)NCCCNCCCCN
  • Talisomycin A (Tallysomycin A) 是一种用于抗肿瘤的抗生素复合物。
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    TargetMolSC
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