(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-48-({2-O-[2,3,6-trideoxy-3-methyl-3-({N-[4-(octyl oxy)benzyl]glycyl}amino)-α-L-lyxo-hexopyranosyl]-β-D-glucopyranosyl}oxy)-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-p

More details:

• Systematic name

  (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-48-({2-O-[2,3,6-trideoxy-3-methyl-3-({N-[4-(octyl oxy)benzyl]glycyl}amino)-alpha-L-lyxo-hexopyranosyl]-beta-D-glucopyranosyl}oxy)-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

  CCCCCCCCOc1ccc(cc1)CNCC(=O)N[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](C(=O)N[C@H](C(=O)N[C@H]6C(=O)N[C@@H]8c9ccc(c(c9)-c1c(cc(cc1O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(c(c1)Cl)O5)O)NC8=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)CO)O)O)C

• Std. InChi

  InChI=1S/C83H100Cl2N10O26/c1-7-8-9-10-11-12-23-115-45-18-13-39(14-19-45)34-88-35-60(101)95-83(5)33-61(116-38(4)74(83)106)120-73-71(105)70(104)58(36-96)119-82(73)121-72-56-28-43-29-57(72)118-55-22-17-42(27-49(55)85)69(103)67-80(112)92-65(81(113)114)47-30-44(97)31-53(99)62(47)46-25-40(15-20-52(46)98)63(77(109)94-67)91-78(110)64(43)90-76(108)51(32-59(86)100)89-79(111)66(93-75(107)50(87-6)24-37(2)3)68(102)41-16-21-54(117-56)48(84)26-41/h13-22,25-31,37-38,50-51,58,61,63-71,73-74,82,87-88,96-99,102-106H,7-12,23-24,32-36H2,1-6H3,(H2,86,100)(H,89,111)(H,90,108)(H,91,110)(H,92,112)(H,93,107)(H,94,109)(H,95,101)(H,113,114)/t38-,50+,51-,58+,61-,63+,64+,65-,66+,67-,68+,69+,70+,71-,73+,74+,82-,83-/m0/s1

• Std. InChIKey

  JYMZOSMWLMUHNG-SMZDHBPOSA-N

• Cite this record

  CSID:17312424, http://www.chemspider.com/Chemical-Structure.17312424.html (accessed 23:10, Jul 1, 2024)