AIDS-134014

Molecular Formula: C₅₁H₈₄N₁₄O₁₈

InChI: InChI=1/C51H84N14O18/c1-25(2)21-34(45(77)64-37(24-67)47(79)60-33(50(82)83)9-6-7-19-52)61-46(78)35(22-28-11-13-29(68)14-12-28)62-48(80)36(23-66)63-41(73)27(5)57-43(75)31(10-8-20-56-51(54)55)58-44(76)32(16-18-39(71)72)59-49(81)40(26(3)4)65-42(74)30(53)15-17-38(69)70/h11-14,25-27,30-37,40,66-68H,6-10,15-24,52-53H2,1-5H3,(H,57,75)(H,58,76)(H,59,81)(H,60,79)(H,61,78)(H,62,80)(H,63,73)(H,64,77)(H,65,74)(H,69,70)(H,71,72)(H,82,83)(H4,54,55,56)/f/h57-65,69,71,82H,54-55H2

InChIKey: InChIKey=HSDNEFJSCAUISW-SBJGIQQICW
SMILES: CC(C)CC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)N

Names:
    AIDS-134014
    AIDS134014
    NSC631179
    29-Amino-2-(4-aminobutyl)-20-(3-((amino(imino)methyl)amino)propyl)-23-(2-carboxyethyl)-11-(4-hydroxybenzyl)-5,14-bis(hydroxymethyl)-8-isobutyl-26-isopropyl-17-methyl-4,7,10,13,16,19,22,25,28-nonaoxo-3\t,6,9,12,15,18,21,24,27-nonaazadotriacontane-1,32-dioic acid
    6-amino-2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-4-carboxy-butanoyl)amino]-3-methyl-butanoyl]amino]-4-carboxy-butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid

Registries:
    PubChem CID 364644
    PubChem ID 229963