(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,2 3,26,42,44-pentaoxo-48-[(2-O-{2,3,6-trideoxy-3-[(4-ethoxybenzyl)amino]-3-methyl-α-L-arabino-hexopyranosyl}-β-D-glucopyranosyl)oxy]-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^3,6.2^{1 4,17}.1^8,12.1^29,33.0^10,25.0^34,39]pen

More details:

• Systematic name

  (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,2 3,26,42,44-pentaoxo-48-[(2-O-{2,3,6-trideoxy-3-[(4-ethoxybenzyl)amino]-3-methyl-alpha-L-arabino-hexopyranosyl}-beta-D-glucopyranosyl)oxy]-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~1 4,17~.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

  CCOc1ccc(cc1)CN[C@]2(C[C@@H](O[C@H]([C@@H]2O)C)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3Oc4c5cc6cc4Oc7ccc(cc7Cl)[C@H]([C@H]8C(=O)N[C@@H](c9cc(cc(c9-c1cc(ccc1O)[C@H](C(=O)N8)NC(=O)[C@@H]6NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](c1ccc(c(c1)Cl)O5)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O)O)C(=O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)CO)O)O)C

• Std. InChi

  InChI=1S/C82H98Cl2N10O27/c1-9-113-42-15-10-36(11-16-42)31-88-82(7)30-58(115-35(5)72(82)104)120-70-67(102)66(101)55(32-95)118-80(70)121-69-53-24-40-25-54(69)117-52-19-14-39(23-46(52)84)68(119-57-29-81(6,86)71(103)34(4)114-57)64-78(110)92-62(79(111)112)44-26-41(96)27-50(98)59(44)43-21-37(12-17-49(43)97)60(75(107)94-64)91-76(108)61(40)90-74(106)48(28-56(85)99)89-77(109)63(93-73(105)47(87-8)20-33(2)3)65(100)38-13-18-51(116-53)45(83)22-38/h10-19,21-27,33-35,47-48,55,57-58,60-68,70-72,80,87-88,95-98,100-104H,9,20,28-32,86H2,1-8H3,(H2,85,99)(H,89,109)(H,90,106)(H,91,108)(H,92,110)(H,93,105)(H,94,107)(H,111,112)/t34-,35-,47+,48-,55+,57-,58-,60+,61+,62-,63+,64-,65+,66+,67-,68+,70+,71-,72-,80-,81-,82-/m0/s1

• Std. InChIKey

  FRCCQKFAPOYUDB-WUZGAIMESA-N

• Cite this record

  CSID:17301340, http://www.chemspider.com/Chemical-Structure.17301340.html (accessed 05:52, Jun 27, 2024)