N-({2-[(1S,18S,28S,29S,30S)-30-[(4-Amino-2,4,6-trideoxy-3-C-methyl-α-L-lyxo-hexopyranosyl)oxy]-9-hydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa -3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2^29,40.1^2,5.1^12,15.1^22,25.1^38,41.1^47,50.0^6,11.0^34,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34,3 6,38,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}carbonyl)ethanediamide

More details:

• Systematic name

  N-({2-[(1S,18S,28S,29S,30S)-30-[(4-Amino-2,4,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)oxy]-9-hydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa -3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2~29,40~.1~2,5~.1~12,15~.1~22,25~.1~38,41~.1~47,50~.0~6,11~.0~34,39~]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34,3 6,38,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}carbonyl)ethanediamide

• SMILES

  C/C(/OC)=C1\NC(=O)[C@@H](NC(=O)C2=CSC(=N2)C2=CC(O)=C(N=C2C2=CSC(=N2)[C@@H]2COC(=O)C3NC4=CC=CC5COC(=O)[C@@H](O[C@H]6C[C@](C)(O)[C@H](N)[C@H](C)O6)[C@@H](OCC=3C=54)[C@H](NC(=O)C3=CSC\1=N3)C1=NC(=CS1)C(=O)N2)C1=NC(=CS1)C(=O)NC(=O)C(N)=O)[C@@H](C)O

• Std. InChi

  InChI=1S/C58H54N14O18S5/c1-19(73)35-49(80)70-36(20(2)85-5)53-65-30(17-93-53)47(78)71-40-41-42(90-33-10-58(4,84)43(59)21(3)89-33)57(83)87-11-22-7-6-8-25-34(22)24(12-86-41)38(61-25)56(82)88-13-26(62-45(76)28-16-95-55(40)67-28)52-63-27(14-92-52)37-23(51-64-29(15-91-51)46(77)69-35)9-32(74)39(68-37)54-66-31(18-94-54)48(79)72-50(81)44(60)75/h6-9,14-19,21,26,33,35,40-43,61,73-74,84H,10-13,59H2,1-5H3,(H2,60,75)(H,62,76)(H,69,77)(H,70,80)(H,71,78)(H,72,79,81)/b36-20+/t19-,21+,26+,33+,35+,40+,41+,42+,43-,58+/m1/s1

• Std. InChIKey

  JLVQHFRHPZEAPL-HVLKWGBISA-N

• Cite this record

  CSID:78440252, http://www.chemspider.com/Chemical-Structure.78440252.html (accessed 03:57, Jul 8, 2024)