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HIT219599937
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HIT219599937
  • HIT ID:HIT219599937
  • Cas No:99165-17-0
  • 常用名:Epidermin
  • IUPAC:N-{6-[(1-{[5-amino-1-({1-[({[7-benzyl-4-(carbamoylmethyl)-23-[(4-hydroxyphenyl)methyl]-3,6,9,15,21,24-hexaoxo-12,19-dithia-2,5,8,16,22,25-hexaazabicyclo[12.6.5]pentacos-17-en-10-yl]carbamoyl}methyl)carbamoyl]prop-1-en-1-yl}carbamoyl)pentyl]carbamoyl}ethyl)carbamoyl]-9-methyl-1,4,11-trioxo-tetradecahydropyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-10-yl}-15-[2-(2-amino-3-methylpentanamido)propanamido]-12-(4-aminobutyl)-9-benzyl-6-(butan-2-yl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxamide
    IUPAC:N-{6-[(1-{[5-amino-1-({1-[({[7-benzyl-4-(carbamoylmethyl)-23-[(4-hydroxyphenyl)methyl]-3,6,9,15,21,24-hexaoxo-12,19-dithia-2,5,8,16,22,25-hexaazabicyclo[12.6.5]pentacos-17-en-10-yl]carbamoyl}methyl)carbamoyl]prop-1-en-1-yl}carbamoyl)pentyl]carbamoyl}ethyl)carbamoyl]-9-methyl-1,4,11-trioxo-tetradecahydropyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-10-yl}-15-[2-(2-amino-3-methylpentanamido)propanamido]-12-(4-aminobutyl)-9-benzyl-6-(butan-2-yl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxamide
  • InChI key:CXTXHTVXPMOOSW-UHFFFAOYSA-N
  • 分子式:C98H141N25O23S4
  • 分子量:2165.6
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCC(C)C(N)C(=O)NC(C)C(=O)NC1CSCC(NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCN)NC1=O)C(C)CC)C(=O)NC1C(C)SCC(NC(=O)CNC(=O)C2CCCN2C1=O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(=CC)C(=O)NCC(=O)NC1CSCC2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CSC=CNC2=O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccccc2)NC1=O
    SMILES:CCC(C)C(N)C(=O)NC(C)C(=O)NC1CSCC(NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCN)NC1=O)C(C)CC)C(=O)NC1C(C)SCC(NC(=O)CNC(=O)C2CCCN2C1=O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(=CC)C(=O)NCC(=O)NC1CSCC2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CSC=CNC2=O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccccc2)NC1=O
  • Epidermin 是一种 A 型羊毛硫抗生素,由四环 21 氨基酸肽组成,对多种革兰氏阳性菌表现出抗生素活性,同时具有代谢物和抗菌剂的功能。
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    TargetMolSC
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