Products 4135-11-9

CAS 4135-11-9 appears in our catalog under these names: Polymyxin B1 sulfate, Polymyxin B1, Polymyxin B1-d3, Polymyxin B1, 97%, 97%, Polymyxin B1, 98.90%. Offered by: Chemat Brand, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: on request, 1mg, 5mg, 10mg, 5 mg, 1 mg.

Polymyxin B1 sulfate
Chemat Brand
  • size: on request
  • Variants: 1
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Polymyxin B1
GLPBio
  • size: 1mg, 5mg
  • Variants: 2
from 1425.49
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Polymyxin B1-d3
Biosynth
  • size: 1mg
  • Variants: 1
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Polymyxin B1, 97%, 97%
Chemat
  • size: 1mg, 5mg, 10mg
  • Variants: 3
from 309.20
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Polymyxin B1, 98.90%
MedChemExpress
  • size: 5 mg, 1 mg
  • Variants: 2
from 937.34
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Structural formula: {0} (CAS {1})

(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 (CAS 4135-11-9) is a chemical compound with the molecular formula C56H98N16O13 and a molecular weight of 1203.5 g/mol. 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.

Identity
Molecular formulaC56H98N16O13
Molecular weight1203.5 g/mol
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
InChIKeyWQVJHHACXVLGBL-CTMZAJDNSA-N
SMILESCC[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

Computed by PubChem (NCBI)

Synonyms: orb1991567
Isomers (same molecular formula)
(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-12-[(2S)-butan-2-yl]-3-[(1R)-1-hydroxyethyl]-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 C56H98N16O13