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HIT215290861
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HIT215290861
  • HIT ID:HIT215290861
  • Cas No:2306049-48-7
  • 常用名:(2S)-2-({[(1S)-1-carboxy-5-[(2S)-2-[(4-{[(2S)-6-[4-(4-methylphenyl)butanamido]-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}hexanamido]methyl}cyclohexyl)formamido]-3-(naphthalen-2-yl)propanamido]pentyl]carbamoyl}amino)pentanedioic acid
    常用名:(2S)-2-({[(1S)-1-carboxy-5-[(2S)-2-[(4-{[(2S)-6-[4-(4-methylphenyl)butanamido]-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}hexanamido]methyl}cyclohexyl)formamido]-3-(naphthalen-2-yl)propanamido]pentyl]carbamoyl}amino)pentanedioic acid
  • IUPAC:(2S)-2-({[(1S)-1-carboxy-5-[(2S)-2-[(4-{[(2S)-6-[4-(4-methylphenyl)butanamido]-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}hexanamido]methyl}cyclohexyl)formamido]-3-(naphthalen-2-yl)propanamido]pentyl]carbamoyl}amino)pentanedioic acid
    IUPAC:(2S)-2-({[(1S)-1-carboxy-5-[(2S)-2-[(4-{[(2S)-6-[4-(4-methylphenyl)butanamido]-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}hexanamido]methyl}cyclohexyl)formamido]-3-(naphthalen-2-yl)propanamido]pentyl]carbamoyl}amino)pentanedioic acid
  • InChI key:QIWYPMRCMDYQBF-OWCMGUGRSA-N
  • 分子式:C66H95N11O18
  • 分子量:1330.545
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:Cc1ccc(CCCC(=O)NCCCC[C@H](NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)NCC2CCC(CC2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc1
    SMILES:Cc1ccc(CCCC(=O)NCCCC[C@H](NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)NCC2CCC(CC2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc1
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