Nocathiacin I

More details:

• Systematic name

  N-(3-Amino-3-oxo-1-propen-2-yl)-2-[(1S,18S,21E,28S,29S,30S)-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-30-{[2,4,6-trideoxy-4-(dimethylamino)-3-C-methyl- alpha-L-lyxo-hexopyranosyl]oxy}-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~]heptapen taconta-2(57),4,6,8,10,12(56),14,22(55),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide

• SMILES

  C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H]3[C@H]4c5nc(cs5)C(=O)N[C@@H](COC(=O)c6c(c7c(cccc7n6O)COC2=O)CO3)c8nc(cs8)-c9c(cc(c(n9)c1nc(cs1)C(=O)NC(=C)C(=O)N)O)-c1nc(cs1)C(=O)N[C@H](C(=O)N/C(=C(\C)/OC)/c1nc(cs1)C(=O)N4)[C@@H](C)O)(C)O)N(C)C

• Std. InChi

  InChI=1S/C61H60N14O18S5/c1-22(48(62)78)63-49(79)31-19-97-57(68-31)42-36(77)12-27-41(70-42)30-17-95-55(65-30)29-16-91-59(84)44-28-15-89-45(46(93-37-13-61(5,86)47(74(6)7)25(4)92-37)60(85)90-14-26-10-9-11-35(38(26)28)75(44)87)43(58-69-32(20-98-58)50(80)64-29)73-52(82)34-21-96-56(67-34)40(24(3)88-8)72-53(83)39(23(2)76)71-51(81)33-18-94-54(27)66-33/h9-12,17-21,23,25,29,37,39,43,45-47,76-77,86-87H,1,13-16H2,2-8H3,(H2,62,78)(H,63,79)(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b40-24+/t23-,25+,29+,37+,39+,43+,45+,46+,47-,61+/m1/s1

• Std. InChIKey

  FFLJEMWVYVKPDW-UMNFMQIXSA-N

• Cite this record

  CSID:10190178, http://www.chemspider.com/Chemical-Structure.10190178.html (accessed 03:24, Apr 25, 2024)