AIDS-134006

Molecular Formula: C₄₆H₇₀N₁₀O₁₇

InChI: InChI=1/C46H70N10O17/c1-23(2)17-30(41(68)49-21-38(64)65)52-43(70)31(19-26-8-10-27(58)11-9-26)53-44(71)33(22-57)55-42(69)29(13-15-37(62)63)51-45(72)34-7-6-16-56(34)46(73)32(18-24(3)4)54-39(66)25(5)50-35(59)20-48-40(67)28(47)12-14-36(60)61/h8-11,23-25,28-34,57-58H,6-7,12-22,47H2,1-5H3,(H,48,67)(H,49,68)(H,50,59)(H,51,72)(H,52,70)(H,53,71)(H,54,66)(H,55,69)(H,60,61)(H,62,63)(H,64,65)/f/h48-55,60,62,64H

InChIKey: InChIKey=GERPVBPJESQTSI-SLFXCUFECA
SMILES: CC(C)CC(C(=O)NCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(CCC(=O)O)N

Names:
    AIDS-134006
    AIDS134006
    NSC631171
    14-(((1-(2-((2-((((2-Amino-4-carboxybutanoyl)amino)acetyl)amino)propanoyl)amino)-4-methylpentanoyl)-2-pyrrolidinyl)carbonyl)amino)-8-(4-hydroxybenzyl)-11-(hydroxymethyl)-5-isobutyl-4,7,10,13-tetraoxo-\t3,6,9,12-tetraazaheptadecane-1,17-dioic acid
    4-amino-4-[1-[[1-[2-[[3-carboxy-1-[[1-[[1-[[1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]propyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxo-pentan-2-yl]carbamoyl]ethylcarbamoylmethylcarbamoyl]butanoic acid

Registries:
    PubChem CID 364636
    PubChem ID 229955