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Home/Compounds/API/Polymyxin B1
C56H98N16O13
1203.5 g/mol
API

4,10-anhydro(N-((6R)-6-methyloctanoyl)-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-phenylalanyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine)

CAS4135-11-9
Category
API
Compound Class
Peptide
Primary Use
Pharmaceutical Raw Material

This compound is a polymyxin antibiotic active pharmaceutical ingredient used in pharmaceutical manufacturing. It is a large, flexible cyclic peptide with multiple amide and amine functional groups, featuring a complex stereochemical structure.

pharmaceutical manufacturingantibiotic active pharmaceutical ingredient

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Related Compounds

StrongStructure SimilarSimilarity 0.91

Polymyxin B2

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StrongStructure SimilarSimilarity 0.89

N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-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-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]octanamide

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research compound

SimilarStructure SimilarSimilarity 0.76

Colistin-1,3,5,9-tetramethanesulfonic a acid

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pharmaceutical raw material

ReferenceSame Category

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ReferenceSame Category

2,2,14,14-tetramethyl-8-oxopentadecanedioic acid

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Apomorphine hydrochloride hemihydrate

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ReferenceSame Category

Pyridoxal phosphate hydrate

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pharmaceutical raw material

Referencestereoisomer of

Polymyxin B1

CAS1404-26-8

pharmaceutical raw material

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Identifiers
IUPAC Name

(6S)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-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-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide

InChIKey

WQVJHHACXVLGBL-CTMZAJDNSA-N

SMILES

CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O

Synonyms (7)

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