AIDS-336138

Molecular Formula: C71H113N7O18


InChI: InChI=1/C38H69NO13.C33H44N6O5/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27;1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3;6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-;26-,27-,28+/m10/s1/f/h;36-38H,34H2

InChIKey: InChIKey=LZNOSXVTQSJHMV-YEYXTHRRDM
SMILES: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O.CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)C(=O)NC(C)(C)C

Names:
    AIDS-336138
    AIDS336138
    N-tert-Butyl-N'-isobutyl-N'-[2(R)-hydroxy-4-phenyl-3(S)-[4-amino-1,4- dioxo-2(S)-(2-quinolinylcarboxamido)butylamino]butyl]urea & 6-O-Methylerythromycin
    (3R,4S,5R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione; (2S)-N-[(2S,3R)-3-hydroxy-4-(2-methylpropyl-(tert-butylcarbamoyl)amino)-1-phenyl-butan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

Registries:
    PubChem CID 6481222
    PubChem ID 10585786