Name: [Orn5]-URP
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HIT ID:HIT218698016
Cas No:782485-03-4
Common Name:[Orn5]-URP
IUPAC:(2S)-2-{[(4R,7S,10S,13S,16S,19R)-19-[(2S)-2-aminopropanamido]-10-(3-aminopropyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-methylbutanoic acid
IUPAC:(2S)-2-{[(4R,7S,10S,13S,16S,19R)-19-[(2S)-2-aminopropanamido]-10-(3-aminopropyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-methylbutanoic acid
InChI key:BPLKRLYKWHXTMO-LSKWFVNGSA-N

Molecular Formula:C48H62N10O10S2
Molecular Weight:1003.2
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[H][C@@]1(CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](C)N
SMILES:[H][C@@]1(CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](C)N

Urotensin-II (UT) receptor pure antagonist (pEC50 = 7.24). Displays no agonist activity unlike other U-II/URP analogs. Inhibits the action of U-II in the rat aorta ring assay.

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