Name: Dafphedyn
Rating: 5 (10 reviews)

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HIT ID:HIT212715560
Cas No:111846-43-6
常用名:Dafphedyn
IUPAC:(2S)-6-amino-N-[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-3-methylbutyl]-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-(2,3,4,5,6-pentafluorophenyl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanamide
IUPAC:(2S)-6-amino-N-[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-3-methylbutyl]-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-(2,3,4,5,6-pentafluorophenyl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanamide
InChI key:GONRGWUCZCUEAR-NGBXKCEBSA-N

分子式:C76H124F5N25O14
分子量:1706.981
氢键供体数 (HBD):25
氢键受体数 (HBA):26
LogP:-4.2929583
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O

Dafphedyn, [D-Ala2, (F5) Phe4]-dynorphin 1-13-NH2 (DAFPHEDYN) is an effective analog of strong endorphin 1-13 and produces diuretic and deep analgesia when administered intravenously in rats.

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