Name: ATWLPPR Peptide TFA
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212708324
Cas No:
常用名:ATWLPPR Peptide TFA
IUPAC:(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid; trifluoroacetic acid
IUPAC:(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid; trifluoroacetic acid
InChI key:UWSUTUJDKRWLMC-AMDKFYLSSA-N

分子式:C42H62F3N11O11
分子量:954.019
氢键供体数 (HBD):11
氢键受体数 (HBA):13
LogP:-3.444924
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

ATWLPPR Peptide TFA is a selective neuropilin-1 inhibitor and inhibits VEGF165 binding to NRP-1. It has the potential in reducing the early retinal damage caused by diabetes.

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