(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-2-[(3-amino-2,3,6-trideoxy-3-methyl-α-L-ara bino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-N-(2-phenylethyl)-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^3,6.2^{14,1 7}.1^8,12.1^29,33.0^10,25.0^34,39]pentac

More details:

• Systematic name

  (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}-2-[(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-ara bino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-N-(2-phenylethyl)-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,1 7~.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-carboxamide

• 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)N)Oc8ccc(cc8Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]9c1ccc(c(c1)-c1c(cc(cc1O)O)[C@H](NC(=O)[C@H]2NC9=O)C(=O)NCCc1ccccc1)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)(C)N)O

• Std. InChi

  InChI=1S/C81H97Cl2N11O25/c1-33(2)21-46(87-7)72(105)93-62-64(100)38-14-17-50(44(82)23-38)114-52-25-40-26-53(68(52)119-79-69(66(102)65(101)54(32-95)116-79)118-57-31-81(6,86)71(104)35(4)113-57)115-51-18-15-39(24-45(51)83)67(117-56-30-80(5,85)70(103)34(3)112-56)63-78(111)92-61(74(107)88-20-19-36-11-9-8-10-12-36)43-27-41(96)28-49(98)58(43)42-22-37(13-16-48(42)97)59(75(108)94-63)91-76(109)60(40)90-73(106)47(29-55(84)99)89-77(62)110/h8-18,22-28,33-35,46-47,54,56-57,59-67,69-71,79,87,95-98,100-104H,19-21,29-32,85-86H2,1-7H3,(H2,84,99)(H,88,107)(H,89,110)(H,90,106)(H,91,109)(H,92,111)(H,93,105)(H,94,108)/t34-,35-,46+,47-,54+,56-,57-,59+,60+,61-,62+,63-,64+,65+,66-,67+,69+,70-,71+,79-,80-,81-/m0/s1

• Std. InChIKey

  MIPJDZDWNNMSKM-OBGIEPKDSA-N

• Cite this record

  CSID:17306169, http://www.chemspider.com/Chemical-Structure.17306169.html (accessed 23:00, Jul 1, 2024)