Products 30387-41-8

CAS 30387-41-8 is the registry number for Polymyxin E2 . Offered by: Chemat Brand. Available pack sizes: on request.

Polymyxin E2
Chemat Brand
  • size: on request
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

[2-[(2S,5R,8S,11S,14S,17S,22S)-14-(2-aminoethyl)-17-[(1R)-1-hydroxyethyl]-22-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-(6-methylheptanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11-[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid (CAS 30387-41-8) is a chemical compound with the molecular formula C56H106N16O25S4 and a molecular weight of 1531.8 g/mol. IUPAC name: [2-[(2S,5R,8S,11S,14S,17S,22S)-14-(2-aminoethyl)-17-[(1R)-1-hydroxyethyl]-22-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-(6-methylheptanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11-[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid. InChIKey: YVDOOFVRKFYTDA-DSAWTUNOSA-N.

Identity
Molecular formulaC56H106N16O25S4
Molecular weight1531.8 g/mol
IUPAC name[2-[(2S,5R,8S,11S,14S,17S,22S)-14-(2-aminoethyl)-17-[(1R)-1-hydroxyethyl]-22-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-(6-methylheptanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11-[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid
InChIKeyYVDOOFVRKFYTDA-DSAWTUNOSA-N
SMILESC[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCNCS(=O)(=O)O)CC(C)C)CC(C)C)CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)O

Computed by PubChem (NCBI)