Polymyxin P1

cas: 37331-24-1 — see every product listed under this CAS number, including other names

Polymyxin P1 (CAS 37331-24-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas37331-24-1
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Structural formula: {0} (CAS {1})

N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2R)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis[(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 (CAS 37331-24-1) is a chemical compound with the molecular formula C54H94N16O14 and a molecular weight of 1191.4 g/mol. IUPAC name: N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2R)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis[(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. InChIKey: YKYJELXCEPRFPA-JHACVJOSSA-N.

Identity
Molecular formulaC54H94N16O14
Molecular weight1191.4 g/mol
IUPAC nameN-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2R)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis[(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
InChIKeyYKYJELXCEPRFPA-JHACVJOSSA-N
SMILESCCC(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)[C@@H](C)O)CCN)CCN)[C@@H](C)O

Computed by PubChem (NCBI)

Synonyms: orb3023994

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