AIDS-142734

Molecular Formula: C₆₁H₁₀₆N₂₂O₂₃

InChI: InChI=1/C61H106N22O23/c1-31(72-46(89)24-69-51(95)34(66)26-84)49(93)75-39(15-16-48(91)92)56(100)78-38(14-6-10-20-65)55(99)82-43(28-86)60(104)79-37(13-5-9-19-64)54(98)77-36(12-4-8-18-63)53(97)76-35(11-3-7-17-62)52(96)70-25-47(90)74-42(27-85)59(103)81-41(22-45(67)88)57(101)73-32(2)50(94)80-40(21-33-23-68-30-71-33)58(102)83-44(29-87)61(105)106/h23,30-32,34-44,84-87H,3-22,24-29,62-66H2,1-2H3,(H2,67,88)(H,68,71)(H,69,95)(H,70,96)(H,72,89)(H,73,101)(H,74,90)(H,75,93)(H,76,97)(H,77,98)(H,78,100)(H,79,104)(H,80,94)(H,81,103)(H,82,99)(H,83,102)(H,91,92)(H,105,106)/f/h69-83,91,105H,67H2

InChIKey: InChIKey=YSWUSHHXNUWBSX-XBRHBFALCW
SMILES: CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CO)C(=O)O)NC(=O)CNC(=O)C(CO)N

Names:
    AIDS-142734
    AIDS142734
    NSC660410
    20,23,26,32-Tetrakis(4-aminobutyl)-35-((2-((((2-amino-3-hydroxypropanoyl)amino)acetyl)amino)propanoyl)amino)-11-(2-amino-2-oxoethyl)-2,14,29-tris(hydroxymethyl)-5-(1H-imidazol-5-ylmethyl)-8-methyl-4,7\t,10,13,16,19,22,25,28,31,34-undecaoxo-3,6,9,12,15,18,21,24,27,30,33-undecaazaoctatriacontane-1,38-dioic acid
    4-[[5-amino-1-[[1-[[5-amino-1-[[5-amino-1-[[5-amino-1-[[1-[[2-carbamoyl-1-[1-[[1-[(1-carboxy-2-hydroxy-ethyl)carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]ethylcarbamoyl]ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoylmethylcarbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]pentyl]carbamoyl]-4-[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]acetyl]amino]propanoylamino]butanoic acid

Registries:
    PubChem CID 378342
    PubChem ID 238683