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HIT218852031
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HIT218852031
  • HIT ID:HIT218852031
  • Cas No:532932-99-3
  • 常用名:[Ala11,D-Leu15]-Orexin B(human)
  • 别名:[Ala11,D-Leu15]-Orexin B
  • IUPAC:(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-{2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]acetyl}pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-4-methylpentanamido]-4-carbamoylbutanamido]acetamido}-5-carbamimidamidopentanamido]propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-4-methylpentanamido]-N-[(1S)-1-{[(1S)-1-[({[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S,2S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}ethyl]pentanediamide
    IUPAC:(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-{2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]acetyl}pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-4-methylpentanamido]-4-carbamoylbutanamido]acetamido}-5-carbamimidamidopentanamido]propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-4-methylpentanamido]-N-[(1S)-1-{[(1S)-1-[({[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S,2S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}ethyl]pentanediamide
  • InChI key:SURUUKNICBOUOQ-UBNRXWOCSA-N
  • 分子式:C120H206N44O35S
  • 分子量:2857.3
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(N)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(N)=O
  • Highly potent and selective OX2 receptor agonist; displays 400-fold selectivity over OX1 receptors. EC50 values are 0.13 and 52 nM for human OX2 and OX1 receptors respectively.
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    35日内发货
    纯度
    -
    ¥ 12,000.00
    1

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