Chemical Compound

Polymyxin B1

CAS Registry Number 4135-11-9
Polymyxin B1 chemical structure
Primary Record

Polymyxin B1

In stock
2,592 g
Purity
99.8 %
CAS
4135-11-9

Compound Identifiers & Properties

CAS
4135-11-9
PubChem CID
11228650
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
Canonical SMILES
CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)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)NC1=O)[C@@H](C)O

Names & Synonyms

  • Polymyxin B1
  • Polymyxin B(1)
  • Polymyxin B1 sulfate
  • B35S89JSRU
  • RefChem:175171
  • 4135-11-9
  • Epitope ID:969154
  • UNII-B35S89JSRU
  • CHEBI:8309
  • POLYMYXIN B1 [MI]
  • CHEMBL2397513
  • orb1991567
  • DTXCID1028441
  • SCHEMBL14241069
  • HY-A0248A
  • DTXSID80858844
  • MFCD01699017
  • MSK163377Z
  • BBF-02579
  • BDBM50548037
  • C56H98N16O13
  • MSK163377
  • BRN 0505906
  • CID11228650
  • MS-32043
  • CS-0019929
  • A947773
  • A981340
  • (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
  • (S)-N-((S)-4-Amino-1-(((2S,3R)-1-(((S)-4-Amino-1-Oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-Tris(2-Aminoethyl)-15-Benzyl-3-((R)-1-Hydroxyethyl)-12-Isobutyl-2,5,8,11,14,17,20-Heptaoxo-1,4,7,10,13,16,19-Heptaazacyclotricosan-21-Yl)Amino)Butan-2-Yl)Amino)-3-Hydroxy-1-Oxobutan-2-Yl)Amino)-1-Oxobutan-2-Yl)-6-Methyloctanamide
  • (6R)-N-[(2S)-4-amino-1-{[(2S,3R)-1-{[(2S)-4-amino-1-oxo-1-{[(3S,6R,9S,12S,15S,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]amino}butan-2-y
  • (6S)-N-[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]propyl]-6-methyl-octanamide
  • (S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-((R)-1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino
  • 1417918-10-5
  • 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)
  • 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}
  • L-THREONINE, N2-(6-METHYL-1-OXOOCTYL)-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-, CYCLIC (10->4)-PEPTIDE
  • N2-(6-METHYL-1-OXOOCTYL)-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 CYCLIC (10->4)-PEPTIDE