AIDS-135333

Molecular Formula: C₄₂H₆₃N₁₃O₁₇

InChI: InChI=1/C42H63N13O17/c1-19(48-36(65)25(5-3-4-10-43)49-35(64)24(44)13-32(61)62)34(63)53-29(16-56)39(68)50-26(11-21-6-8-23(59)9-7-21)37(66)54-30(17-57)40(69)55-33(20(2)58)41(70)51-27(14-31(45)60)38(67)52-28(42(71)72)12-22-15-46-18-47-22/h6-9,15,18-20,24-30,33,56-59H,3-5,10-14,16-17,43-44H2,1-2H3,(H2,45,60)(H,46,47)(H,48,65)(H,49,64)(H,50,68)(H,51,70)(H,52,67)(H,53,63)(H,54,66)(H,55,69)(H,61,62)(H,71,72)/f/h47-55,61,71H,45H2

InChIKey: InChIKey=JEMOIYTTXPENIG-LLOQFEPRCI
SMILES: CC(C(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)N)O

Names:
    AIDS-135333
    AIDS135333
    NSC634820
    26-Amino-23-(4-aminobutyl)-5-(2-amino-2-oxoethyl)-14-(4-hydroxybenzyl)-8-(1-hydroxyethyl)-11,17-bis(hydroxymethyl)-2-(1H-imidazol-5-ylmethyl)-20-methyl-4,7,10,13,16,19,22,25-octaoxo-3,6,9,12,15,18,21,\t24-octaazaoctacosane-1,28-dioic acid
    3-amino-3-[[5-amino-1-[1-[[1-[[1-[[1-[[1-[[2-carbamoyl-1-[[1-carboxy-2-(3H-imidazol-4-yl)ethyl]carbamoyl]ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]ethylcarbamoyl]pentyl]carbamoyl]propanoic acid

Registries:
    PubChem CID 366445
    PubChem ID 231282