(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]-48-({2-O-[3-({N-[4-(benzyloxy)benzyl]glycyl}amino)-2,3,6-trideoxy-3-methy l-α-L-arabino-hexopyranosyl]-β-D-glucopyranosyl}oxy)-15-chloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-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

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]-48-({2-O-[3-({N-[4-(benzyloxy)benzyl]glycyl}amino)-2,3,6-trideoxy-3-methy l-alpha-L-arabino-hexopyranosyl]-beta-D-glucopyranosyl}oxy)-15-chloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-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

  C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2c3ccc(cc3)Oc4cc5cc(c4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7C[C@]([C@H]([C@@H](O7)C)O)(C)NC(=O)CNCc8ccc(cc8)OCc9ccccc9)Oc1ccc(cc1Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]1c3ccc(c(c3)-c3c(cc(cc3O)O)[C@H](NC(=O)[C@H]2NC1=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)(C)N)O

• Std. InChi

  InChI=1S/C89H104ClN11O28/c1-39(2)25-54(93-7)80(113)99-70-72(108)46-18-24-58(53(90)27-46)125-60-29-47-28-59(76(60)129-87-77(74(110)73(109)61(37-102)126-87)128-65-34-89(6,79(112)41(4)123-65)101-63(107)36-94-35-42-13-19-49(20-14-42)121-38-43-11-9-8-10-12-43)124-50-21-15-44(16-22-50)75(127-64-33-88(5,92)78(111)40(3)122-64)71-85(118)98-69(86(119)120)52-30-48(103)31-57(105)66(52)51-26-45(17-23-56(51)104)67(82(115)100-71)97-83(116)68(47)96-81(114)55(32-62(91)106)95-84(70)117/h8-24,26-31,39-41,54-55,61,64-65,67-75,77-79,87,93-94,102-105,108-112H,25,32-38,92H2,1-7H3,(H2,91,106)(H,95,117)(H,96,114)(H,97,116)(H,98,118)(H,99,113)(H,100,115)(H,101,107)(H,119,120)/t40-,41-,54+,55-,61+,64-,65-,67+,68+,69-,70+,71-,72+,73+,74-,75+,77+,78-,79-,87-,88-,89-/m0/s1

• Std. InChIKey

  KYAULVZLCXRYME-AGIACPDMSA-N

• Cite this record

  CSID:17591590, http://www.chemspider.com/Chemical-Structure.17591590.html (accessed 22:59, Jul 1, 2024)