(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-[(O-benzyl-L-tyrosyl)amino]-2,3,6-trideoxy-3-methyl-α-L-a rabino-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^{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]-48-[(2-O-{3-[(O-benzyl-L-tyrosyl)amino]-2,3,6-trideoxy-3-methyl-alpha-L-a rabino-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~.2~1 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

  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)[C@H](Cc8ccc(cc8)OCc9ccccc9)N)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/c1-38(2)25-54(94-7)80(113)99-69-71(107)45-18-24-58(52(90)28-45)125-60-30-46-29-59(75(60)129-87-76(73(109)72(108)61(36-102)126-87)128-64-35-89(6,78(111)40(4)123-64)101-79(112)53(91)26-41-13-19-48(20-14-41)121-37-42-11-9-8-10-12-42)124-49-21-15-43(16-22-49)74(127-63-34-88(5,93)77(110)39(3)122-63)70-85(118)98-68(86(119)120)51-31-47(103)32-57(105)65(51)50-27-44(17-23-56(50)104)66(82(115)100-70)97-83(116)67(46)96-81(114)55(33-62(92)106)95-84(69)117/h8-24,27-32,38-40,53-55,61,63-64,66-74,76-78,87,94,102-105,107-111H,25-26,33-37,91,93H2,1-7H3,(H2,92,106)(H,95,117)(H,96,114)(H,97,116)(H,98,118)(H,99,113)(H,100,115)(H,101,112)(H,119,120)/t39-,40-,53-,54+,55-,61+,63-,64-,66+,67+,68-,69+,70-,71+,72+,73-,74+,76+,77-,78-,87-,88-,89-/m0/s1

• Std. InChIKey

  LVXSFGYYQQFDQD-MHQMKXSWSA-N

• Cite this record

  CSID:17591819, http://www.chemspider.com/Chemical-Structure.17591819.html (accessed 06:03, Jun 27, 2024)