AIDS-134581

Molecular Formula: C₄₅H₇₉N₁₃O₁₈

InChI: InChI=1/C45H79N13O18/c1-7-21(4)34(57-37(67)24(47)10-8-9-15-46)43(73)51-25(12-14-33(64)65)38(68)55-29(18-59)41(71)50-22(5)36(66)58-35(23(6)61)44(74)54-28(17-32(49)63)40(70)53-27(16-20(2)3)39(69)56-30(19-60)42(72)52-26(45(75)76)11-13-31(48)62/h20-30,34-35,59-61H,7-19,46-47H2,1-6H3,(H2,48,62)(H2,49,63)(H,50,71)(H,51,73)(H,52,72)(H,53,70)(H,54,74)(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,64,65)(H,75,76)/f/h50-58,64,75H,48-49H2

InChIKey: InChIKey=RYHWQUSYUSJXPZ-VAFTVXPBCM
SMILES: CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCCN)N

Names:
    AIDS-134581
    AIDS134581
    NSC633084
    11-(2-Amino-2-oxoethyl)-2-(3-amino-3-oxopropyl)-23-((2-((2,6-diaminohexanoyl)amino)-3-methylpentanoyl)amino)-14-(1-hydroxyethyl)-5,20-bis(hydroxymethyl)-8-isobutyl-17-methyl-4,7,10,13,16,19,22-heptaox\to-3,6,9,12,15,18,21-heptaazahexacosane-1,26-dioic acid
    4-carbamoyl-2-[[2-[[2-[[3-carbamoyl-2-[[2-[2-[[2-[[4-carboxy-2-[[2-(2,6-diaminohexanoylamino)-3-methyl-pentanoyl]amino]butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]butanoic acid

Registries:
    PubChem CID 365454
    PubChem ID 230530