Name: SPR741
Rating: 4 (6 reviews)

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HIT ID:HIT218615604
Cas No:1179330-52-9
Common Name:SPR741
alias:NAB741
IUPAC:(2S,3R)-2-acetamido-3-hydroxy-N-[(1R)-2-hydroxy-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}ethyl]butanamide
IUPAC:(2S,3R)-2-acetamido-3-hydroxy-N-[(1R)-2-hydroxy-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}ethyl]butanamide
InChI key:JBFNEVNUGGFPBQ-DDMCRLCFSA-N

Molecular Formula:C44H73N13O13
Molecular Weight:992.146
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O

SPR741, formerly NAB741 (12), is a cationic peptide derived from polymyxin B and is one such potentiator molecule that is under development for the treatment of serious Gram-negative bacterial infections.

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