AIDS-134583

Molecular Formula: C₄₆H₇₈N₁₄O₁₄

InChI: InChI=1/C46H78N14O14/c1-9-24(7)36(43(71)58-29(15-23(5)6)39(67)52-20-33(61)54-32(45(73)74)18-35(64)65)60-44(72)37(25(8)10-2)59-40(68)28(12-11-13-51-46(48)49)55-42(70)31(17-34(62)63)57-41(69)30(16-26-19-50-21-53-26)56-38(66)27(47)14-22(3)4/h19,21-25,27-32,36-37H,9-18,20,47H2,1-8H3,(H,50,53)(H,52,67)(H,54,61)(H,55,70)(H,56,66)(H,57,69)(H,58,71)(H,59,68)(H,60,72)(H,62,63)(H,64,65)(H,73,74)(H4,48,49,51)/f/h52-60,62,64,73H,48-49H2

InChIKey: InChIKey=HFNDHPFDJNZSFY-MLOWUFKDCM
SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)N

Names:
    AIDS-134583
    AIDS134583
    NSC633086
    17-(3-((Amino(imino)methyl)amino)propyl)-20-((2-((2-amino-4-methylpentanoyl)amino)-3-(1H-imidazol-4-yl)propanoyl)amino)-11,14-disec-butyl-8-isobutyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenic\tosane-1,2,21-tricarboxylic acid
    2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-3-carboxy-propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]butanedioic acid

Registries:
    PubChem CID 365456
    PubChem ID 230532