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  3. HIT218662917
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HIT218662917
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HIT218662917
  • HIT ID:HIT218662917
  • Cas No:310427-94-2
  • 常用名:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)butanamido]-4-carboxybutanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-3-carboxypropanamido]propanamido]-4-carboxybutanamido]-3-phenylpropanamido]-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]hexanamido]-5-carbamimidamidopentanoic acid
    常用名:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)butanamido]-4-carboxybutanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-3-carboxypropanamido]propanamido]-4-carboxybutanamido]-3-phenylpropanamido]-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]hexanamido]-5-carbamimidamidopentanoic acid
  • IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)butanamido]-4-carboxybutanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-3-carboxypropanamido]propanamido]-4-carboxybutanamido]-3-phenylpropanamido]-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]hexanamido]-5-carbamimidamidopentanoic acid
    IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)butanamido]-4-carboxybutanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-3-carboxypropanamido]propanamido]-4-carboxybutanamido]-3-phenylpropanamido]-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]hexanamido]-5-carbamimidamidopentanoic acid
  • InChI key:NWSZHKSLZMCXEG-YHBITHHLSA-N
  • 分子式:C91H129N25O25S
  • 分子量:2005.24
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
    SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
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