N-({2-[(1S,18S,28S,29S,30S)-9,30,52-Trihydroxy-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-decaazadeca cyclo[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),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}carbonyl)etha nediamide

More details:

• Systematic name

  N-({2-[(1S,18S,28S,29S,30S)-9,30,52-Trihydroxy-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-decaazadeca cyclo[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),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}carbonyl)etha nediamide

• 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)C3=C4CO[C@@H]([C@H](NC(=O)C5=CSC\1=N5)C1=NC(=CS1)C(=O)N2)[C@H](O)C(=O)OCC1C=CC=C(C=14)N3O)C1=NC(=CS1)C(=O)NC(=O)C(N)=O)[C@@H](C)O

• Std. InChi

  InChI=1S/C51H41N13O17S5/c1-16(65)30-43(73)61-31(17(2)78-3)47-56-25(14-84-47)41(71)62-34-37-36(67)51(76)80-8-18-5-4-6-27-29(18)20(9-79-37)35(64(27)77)50(75)81-10-21(53-39(69)23-13-86-49(34)58-23)46-54-22(11-83-46)32-19(45-55-24(12-82-45)40(70)60-30)7-28(66)33(59-32)48-57-26(15-85-48)42(72)63-44(74)38(52)68/h4-7,11-16,21,30,34,36-37,65-67,77H,8-10H2,1-3H3,(H2,52,68)(H,53,69)(H,60,70)(H,61,73)(H,62,71)(H,63,72,74)/b31-17+/t16-,21+,30+,34+,36+,37+/m1/s1

• Std. InChIKey

  PPYHMCZUBYBPFZ-XPEXILJUSA-N

• Cite this record

  CSID:78440116, http://www.chemspider.com/Chemical-Structure.78440116.html (accessed 10:24, Jun 15, 2024)