(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methyl-α-L-lyxo-hexopyranosyl)oxy]-5,15-dichloro-48-[(2-O-{3-[(4-chlorobenzyl)amino]-2,3,6-trideoxy-3-methyl-al pha-L-lyxo-hexopyranosyl}-β-D-glucopyranosyl)oxy]-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

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-lyxo-hexopyranosyl)oxy]-5,15-dichloro-48-[(2-O-{3-[(4-chlorobenzyl)amino]-2,3,6-trideoxy-3-methyl-al pha-L-lyxo-hexopyranosyl}-beta-D-glucopyranosyl)oxy]-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(c(c3)Cl)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)NCc8ccc(cc8)Cl)Oc9ccc(cc9Cl)[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/C80H93Cl3N10O26/c1-31(2)18-45(86-7)71(104)92-61-63(99)36-11-16-49(43(82)20-36)114-51-22-38-23-52(67(51)119-78-68(65(101)64(100)53(30-94)116-78)118-56-28-80(6,70(103)33(4)113-56)87-29-34-8-13-39(81)14-9-34)115-50-17-12-37(21-44(50)83)66(117-55-27-79(5,85)69(102)32(3)112-55)62-76(109)91-60(77(110)111)42-24-40(95)25-48(97)57(42)41-19-35(10-15-47(41)96)58(73(106)93-62)90-74(107)59(38)89-72(105)46(26-54(84)98)88-75(61)108/h8-17,19-25,31-33,45-46,53,55-56,58-66,68-70,78,86-87,94-97,99-103H,18,26-30,85H2,1-7H3,(H2,84,98)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)/t32-,33-,45+,46-,53+,55-,56-,58+,59+,60-,61+,62-,63+,64+,65-,66+,68+,69+,70+,78-,79-,80-/m0/s1

• Std. InChIKey

  GJNIAVXMCPWUDC-JCDFGUMZSA-N

• Cite this record

  CSID:17293390, http://www.chemspider.com/Chemical-Structure.17293390.html (accessed 23:05, Jul 1, 2024)