(1S,2R,18R,19R,22S,25S,28R)-22-(2-Amino-2-oxoethyl)-5,15-dichloro-48-{[2-O-(3-{[2-(decylamino)ethyl]amino}-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)-α-D-glucopyranosyl]oxy}-2,18,32,35 ,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-36-{[(phosphonomethyl)amino]methyl}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^3,6.2^14,17.1^8,12.1^29,33.0^10,25 .0^34,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid

More details:

• Systematic name

  (1S,2R,18R,19R,22S,25S,28R)-22-(2-Amino-2-oxoethyl)-5,15-dichloro-48-{[2-O-(3-{[2-(decylamino)ethyl]amino}-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranosyl)-alpha-D-glucopyranosyl]oxy}-2,18,32,35 ,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-36-{[(phosphonomethyl)amino]methyl}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~ .0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid

• SMILES

  CC(C)C[C@@H](NC)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=CC4=CC(OC5=CC=C(C=C5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@H]4NC(=O)[C@H](CC(N)=O)NC1=O)C1=CC=C(O)C(=C1)C1=C(C=C(O)C(CNCP(O)(O)=O)=C1O)C(NC5=O)C(O)=O)=C3O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(NCCNCCCCCCCCCC)[C@@H](O)[C@H](C)O1)C(Cl)=C2

• Std. InChi

  InChI=1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)/t37-,47+,48-,55+,57-,59+,60-,61?,62+,63-,64+,65+,67+,68-,70+,71-,79+,80-/m0/s1

• Std. InChIKey

  ONUMZHGUFYIKPM-GNJLLLGKSA-N

• Cite this record

  CSID:114816234, http://www.chemspider.com/Chemical-Structure.114816234.html (accessed 13:13, Apr 30, 2024)