Name: D-loop peptide, synthetic
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317709
Cas No:130304-73-3
常用名:D-loop peptide, synthetic
别名:D-Loop protein
IUPAC:2-[(6S,9S,12S,15S,19R,22S,25S,33aS)-22-(4-aminobutyl)-12-benzyl-25-(3-carbamimidamidopropyl)-15-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-6-(hydroxymethyl)-1,4,7,10,13,17,20,23,26,29-decaoxo-19-(sulfanylmethyl)-dotriacontahydro-1H-pyrrolo[1,2-m]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-9-yl]acetic acid
IUPAC:2-[(6S,9S,12S,15S,19R,22S,25S,33aS)-22-(4-aminobutyl)-12-benzyl-25-(3-carbamimidamidopropyl)-15-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-6-(hydroxymethyl)-1,4,7,10,13,17,20,23,26,29-decaoxo-19-(sulfanylmethyl)-dotriacontahydro-1H-pyrrolo[1,2-m]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-9-yl]acetic acid
InChI key:JDILNQMMDKIYDQ-FECDPLHUSA-N

分子式:C53H76N16O16S
分子量:1225.35
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC2=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
SMILES:[H][C@@]12CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC2=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

D-loop peptide, synthetic is an antigenic peptide. It cyclizes through a peptide bond between the side chain carboxylic group of Asp10 and the terminal amide of the peptide.

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