(1S,2R,18S,19S,22S,25R,28R)-48-{[2-O-(3-Amino-2,3,6-trideoxy-α-D-lyxo-hexopyranosyl)-α-D-allopyranosyl]oxy}-2-[(3-amino-2,3,6-trideoxy-β-D-lyxo-hexopyranosyl)oxy]-5-chloro-22-(3-chloro-4-hy droxyphenyl)-19-{[(2R)-2-{4-[(6-deoxy-2-O-methyl-β-D-mannopyranosyl)oxy]phenyl}-2-(methylamino)acetyl]amino}-18-(α-L-glucopyranosyloxy)-32,35,37-trihydroxy-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,18S,19S,22S,25R,28R)-48-{[2-O-(3-Amino-2,3,6-trideoxy-alpha-D-lyxo-hexopyranosyl)-alpha-D-allopyranosyl]oxy}-2-[(3-amino-2,3,6-trideoxy-beta-D-lyxo-hexopyranosyl)oxy]-5-chloro-22-(3-chloro-4-hy droxyphenyl)-19-{[(2R)-2-{4-[(6-deoxy-2-O-methyl-beta-D-mannopyranosyl)oxy]phenyl}-2-(methylamino)acetyl]amino}-18-(alpha-L-glucopyranosyloxy)-32,35,37-trihydroxy-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

  CO[C@@H]1[C@H](OC2C=CC(=CC=2)[C@@H](NC)C(=O)N[C@H]2[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C3C=CC(=CC=3)OC3C=C4C=C(OC5C=CC(=CC=5Cl)[C@@H](O[C@H]5C[C@@H](N)[C@@H](O)[C@@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)C2=CC(Cl)=C(O)C=C2)C2=CC(C4C(=CC(O)=CC=4O)C(NC5=O)C(O)=O)=C(O)C=C2)C=3O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O[C@@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)O[C@H](C)[C@@H](O)[C@@H]1O

• Std. InChi

  InChI=1S/C90H103Cl2N9O36/c1-31-67(108)47(93)27-57(126-31)134-77-38-12-19-52(46(92)22-38)131-54-24-39-23-53(78(54)137-90-80(74(115)71(112)56(30-103)133-90)135-58-28-48(94)68(109)32(2)127-58)129-41-15-8-35(9-16-41)76(136-88-75(116)72(113)70(111)55(29-102)132-88)65(100-81(117)60(95-4)34-6-13-42(14-7-34)130-89-79(125-5)73(114)69(110)33(3)128-89)85(121)97-62(37-11-18-50(106)45(91)21-37)82(118)98-63(39)84(120)96-61-36-10-17-49(105)43(20-36)59-44(25-40(104)26-51(59)107)64(87(123)124)99-86(122)66(77)101-83(61)119/h6-26,31-33,47-48,55-58,60-77,79-80,88-90,95,102-116H,27-30,93-94H2,1-5H3,(H,96,120)(H,97,121)(H,98,118)(H,99,122)(H,100,117)(H,101,119)(H,123,124)/t31-,32-,33-,47-,48-,55+,56-,57+,58-,60-,61-,62+,63-,64?,65+,66+,67+,68+,69-,70+,71-,72-,73+,74-,75+,76+,77-,79+,80-,88+,89+,90-/m1/s1

• Std. InChIKey

  ZVRVZYXIMVTOQM-OAWIYRIWSA-N

• Cite this record

  CSID:78442925, http://www.chemspider.com/Chemical-Structure.78442925.html (accessed 09:52, May 20, 2024)