maduropeptin chromophore

ChemSpider ID: 21805429
Molecular Formula: C₄₁H₄₄ClNO₁₂
Average mass: 778.241 Da
Monoisotopic mass: 777.255188 Da
Systematic name

(1S,8R,13Z,20R,21S,24R)-25-Chloro-8,20-dihydroxy-4,24-dimethoxy-10-oxo-2-oxatetracyclo[12.7.3.1^3,7.0^17,21]pentacosa-3(25),4,6,13,17-pentaene-15,22-diyn-21-yl 4-deoxy-4-[(2-hydroxy-3,6-dimethylbenz oyl)amino]-3-C-methyl-β-D-ribopyranoside
SMILES and InChIs

SMILES:

Cc1ccc(c(c1C(=O)N[C@@H]2CO[C@H]([C@@H]([C@]2(C)O)O)O[C@]34[C@@H](CC=C3C#C/C/5=C/CCC(=O)C[C@H](c6ccc(c(c6Cl)O[C@H]4C#C[C@H]5OC)OC)O)O)O)C Copied

Std. InChI:

InChI=1S/C41H44ClNO12/c1-21-9-10-22(2)35(47)33(21)38(49)43-30-20-53-39(37(48)40(30,3)50)55-41-24(13-17-31(41)46)12-11-23-7-6-8-25(44)19-27(45)26-14-15-29(52-5)36(34(26)42)54-32(41)18-16-28(23)51-4/h7,9-10,13-15,27-28,30-32,37,39,45-48,50H,6,8,17,19-20H2,1-5H3,(H,43,49)/b23-7-/t27-,28-,30-,31-,32+,37+,39+,40-,41+/m1/s1 Copied

Std. InChIKey:

DTYMTHVKWVFBNI-NZZLWIKPSA-N Copied
Cite this record
CSID:21805429, http://www.chemspider.com/Chemical-Structure.21805429.html (accessed 14:35, Jan 27, 2015) Copied

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