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HIT220912289
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HIT220912289
  • HIT ID:HIT220912289
  • Cas No:309245-16-7
  • 常用名:ANP (1-30), frog
  • IUPAC:(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-{[(1R)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(1R)-1-[({[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}butyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
    IUPAC:(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-{[(1R)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(1R)-1-[({[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}butyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
  • InChI key:InChIKey=PSBFZWSMNGEMPL-VKQUMCRDSA-N
  • 分子式:C131H217N49O41S4
  • 分子量:3262.72
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
  • ANP (1-30), frog 是蛙源心房肽的多肽片段。具有利钠、利尿和血管松弛作用。
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