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HIT218697996
  • HIT ID:HIT218697996
  • Cas No:688805-40-5
  • Common Name:(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]propanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid
    Common Name:(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]propanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid
  • IUPAC:(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]propanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid
    IUPAC:(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]propanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid
  • InChI key:DTOKERRUIOKYER-XCWHROCZSA-N
  • Molecular Formula:C47H78N12O14
  • Molecular Weight:1035.211
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(C)C)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(C)C)C(O)=O
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