1-[(4R,5R)-4,5-Dihydroxy-N2-[4-(octyloxy)benzoyl]-L-ornithine]echinocandin B

Name: 1-[(4R,5R)-4,5-Dihydroxy-N2-[4-(octyloxy)benzoyl]-L-ornithine]echinocandin B
Brand: CoreyChem
SKU: CAS:79404-91-4
Price: Contact for pricing USD
Availability: InStock

N-[(11R,20R,21R,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-octoxybenzamide

Also Known As: Cilofungin|Cilofungina|Cilofunginum|Cilofungin [USAN:INN]|Cilofunginum [INN-Latin]|Antibiotic LY 121019|Cilofungina [INN-Spanish]|LY 121019|L-649,991|1-[(4R,5R)-4,5-Dihydroxy-N2-[4-(octyloxy)benzoyl]-L-ornithine]echinocandin B|N-[(11R,20R,21R,25S,26S)-6-[(1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-octoxybenzamide|1-((4R,5R)-4,5-Dihydroxy-N(sup 2)-(p-(octyloxy)benzoyl)-L-ornithine)echinocandin B|(4R,5R)-4,5-Dihydroxy-N(sup 2)-(p-(octyloxy)benzoyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline cyclic (6->1)-peptide|n-[(2r,11r,12r,15s,16s)-23-[(1s,2s)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1h-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-4-(octyloxy)benzamide|N-[[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-tetrahydroxy-bis(1-hydroxyethyl)-methyl-hexaoxo-[?]yl]-4-octoxy-benzamide

CAS: 79404-91-4

Molecular Formula	`C49H71N7O17`
Molecular Weight	1029.4906 g/mol
LogP	-3.09
Topological Polar Surface Area	377.42 Å²
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	17
Rotatable Bonds	15
Exact Mass	1029.4906
Heavy Atoms	73
Complexity	2218.3

Chemical Identifiers

CAS Number	79404-91-4
SMILES	`CCCCCCCCOC1=CC=C(C=C1)C(=O)NC2C[C@H]([C@H](NC(=O)C3[C@H]([C@H](CN3C(=O)C(NC(=O)C(NC(=O)C4C[C@H](CN4C(=O)C(NC2=O)C(C)O)O)[C@@H]([C@H](C5=CC=C(C=C5)O)O)O)C(C)O)C)O)O)O`

Product Overview

1-[(4R,5R)-4,5-Dihydroxy-N2-[4-(octyloxy)benzoyl]-L-ornithine]echinocandin B (CAS 79404-91-4), with molecular formula C49H71N7O17 and molecular weight 1029.4906 g/mol. IUPAC: N-[(11R,20R,21R,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-octoxybenzamide.

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