AIDS-134007

Molecular Formula: C₅₅H₇₇N₁₁O₁₇

InChI: InChI=1/C55H77N11O17/c1-28(2)21-38(50(77)64-41(55(82)83)24-32-25-57-36-10-7-6-9-34(32)36)61-51(78)39(23-31-12-14-33(68)15-13-31)62-52(79)42(27-67)65-49(76)37(17-19-46(72)73)60-53(80)43-11-8-20-66(43)54(81)40(22-29(3)4)63-47(74)30(5)59-44(69)26-58-48(75)35(56)16-18-45(70)71/h6-7,9-10,12-15,25,28-30,35,37-43,57,67-68H,8,11,16-24,26-27,56H2,1-5H3,(H,58,75)(H,59,69)(H,60,80)(H,61,78)(H,62,79)(H,63,74)(H,64,77)(H,65,76)(H,70,71)(H,72,73)(H,82,83)/f/h58-65,70,72,82H

InChIKey: InChIKey=CDXQRFXFRJCQFY-AVSWFEMQCE
SMILES: CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(CCC(=O)O)N

Names:
    AIDS-134007
    AIDS134007
    NSC631172
    14-(((1-(2-((2-((((2-Amino-4-carboxybutanoyl)amino)acetyl)amino)propanoyl)amino)-4-methylpentanoyl)-2-pyrrolidinyl)carbonyl)amino)-8-(4-hydroxybenzyl)-11-(hydroxymethyl)-2-(1H-indol-3-ylmethyl)-5-isob\tutyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecane-1,17-dioic acid
    4-amino-4-[1-[[1-[2-[[3-carboxy-1-[[1-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-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 364637
    PubChem ID 229956