AIDS-134013

Molecular Formula: C₅₁H₈₅N₁₅O₁₇

InChI: InChI=1/C51H85N15O17/c1-25(2)21-34(45(77)65-37(24-68)47(79)61-33(50(82)83)9-6-7-19-52)62-46(78)35(22-28-11-13-29(69)14-12-28)63-48(80)36(23-67)64-41(73)27(5)58-43(75)31(10-8-20-57-51(55)56)59-44(76)32(16-17-38(54)70)60-49(81)40(26(3)4)66-42(74)30(53)15-18-39(71)72/h11-14,25-27,30-37,40,67-69H,6-10,15-24,52-53H2,1-5H3,(H2,54,70)(H,58,75)(H,59,76)(H,60,81)(H,61,79)(H,62,78)(H,63,80)(H,64,73)(H,65,77)(H,66,74)(H,71,72)(H,82,83)(H4,55,56,57)/f/h58-66,71,82H,54-56H2

InChIKey: InChIKey=OBUMPNCLONUQRM-XCQFIUCGCN
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)N)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)N

Names:
    AIDS-134013
    AIDS134013
    NSC631178
    29-Amino-2-(4-aminobutyl)-20-(3-((amino(imino)methyl)amino)propyl)-23-(3-amino-3-oxopropyl)-11-(4-hydroxybenzyl)-5,14-bis(hydroxymethyl)-8-isobutyl-26-isopropyl-17-methyl-4,7,10,13,16,19,22,25,28-nona\toxo-3,6,9,12,15,18,21,24,27-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-carbamoyl-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 364643
    PubChem ID 229962