(1S,2R,18R,19R,22S,25R,28R,40R)-48-({2-O-[(2R,4S,5S,6R)-4-Amino-6-hydroxy-4,5-dimethyltetrahydro-2H-pyran-2-yl]-β-L-glucopyranosyl}oxy)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydr oxy-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-carboxy

More details:

• Systematic name

  (1S,2R,18R,19R,22S,25R,28R,40R)-48-({2-O-[(2R,4S,5S,6R)-4-Amino-6-hydroxy-4,5-dimethyltetrahydro-2H-pyran-2-yl]-beta-L-glucopyranosyl}oxy)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydr oxy-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

  O=C(O)[C@H]3c1cc(O)cc(O)c1c2c(O)ccc(c2)[C@@H]6C(=O)N[C@H](C(=O)N3)[C@H](O)c%10ccc(Oc9cc5cc(Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@H](NC)CC(C)C)C(=O)N[C@H](C(=O)N[C@H]5C(=O)N6)CC(=O)N)c9O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O[C@@H]7O[C@@H](O)[C@@H](C)[C@@](N)(C7)C)c(Cl)c%10

• Std. InChi

  InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)57(87)76-49-51(83)26-7-10-38(32(67)14-26)96-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)98-65)99-44-21-66(4,70)24(3)64(95)100-44)97-39-11-8-27(15-33(39)68)52(84)50-62(92)75-48(63(93)94)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(59(89)77-50)74-60(90)47(28)73-58(88)35(20-43(69)82)72-61(49)91/h6-11,13-19,23-24,34-35,42,44,46-54,56,64-65,71,78-81,83-86,95H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,91)(H,73,88)(H,74,90)(H,75,92)(H,76,87)(H,77,89)(H,93,94)/t24-,34-,35+,42+,44-,46-,47-,48-,49-,50+,51-,52-,53+,54-,56+,64-,65-,66+/m1/s1

• Std. InChIKey

  MWLGNYKKIDFWQN-LXOGGXLZSA-N

• Cite this record

  CSID:9030606, http://www.chemspider.com/Chemical-Structure.9030606.html (accessed 22:59, Apr 16, 2024)