AIDS-134580

Molecular Formula: C₄₈H₇₉N₁₃O₁₆

InChI: InChI=1/C48H79N13O16/c1-7-24(4)38(47(75)53-26(6)40(68)59-34(21-62)46(74)58-33(48(76)77)20-37(52)66)61-42(70)30(15-16-36(51)65)55-41(69)29(10-8-9-17-49)54-45(73)35(22-63)60-43(71)31(18-23(2)3)57-44(72)32(56-39(67)25(5)50)19-27-11-13-28(64)14-12-27/h11-14,23-26,29-35,38,62-64H,7-10,15-22,49-50H2,1-6H3,(H2,51,65)(H2,52,66)(H,53,75)(H,54,73)(H,55,69)(H,56,67)(H,57,72)(H,58,74)(H,59,68)(H,60,71)(H,61,70)(H,76,77)/f/h53-61,76H,51-52H2

InChIKey: InChIKey=RHUINSNPMOZRLT-JUQXETGCCL
SMILES: CCC(C)C(C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C)N

Names:
    AIDS-134580
    AIDS134580
    NSC633083
    2-[[2-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-carbamoyl-butanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-hydroxy-propanoyl]amino]-3-carbamoyl-propanoic acid
    29-Amino-17-(4-aminobutyl)-2-(2-amino-2-oxoethyl)-14-(3-amino-3-oxopropyl)-11-sec-butyl-26-(4-hydroxybenzyl)-5,20-bis(hydroxymethyl)-23-isobutyl-8-methyl-4,7,10,13,16,19,22,25,28-nonaoxo-3,6,9,12,15,1\t8,21,24,27-nonaazatriacontan-1-oic acid

Registries:
    PubChem CID 365453
    PubChem ID 230529