AIDS-134572

Molecular Formula: C₅₆H₈₈N₁₆O₁₉

InChI: InChI=1/C56H88N16O19/c1-26(2)16-35(46(59)81)65-51(86)38(19-32-22-60-25-61-32)67-52(87)39(20-43(58)78)69-56(91)45(29(6)75)72-55(90)42(24-74)71-50(85)37(18-31-11-13-33(77)14-12-31)66-54(89)41(23-73)70-47(82)28(5)62-48(83)34(10-8-9-15-57)64-53(88)40(21-44(79)80)68-49(84)36(17-27(3)4)63-30(7)76/h11-14,22,25-29,34-42,45,73-75,77H,8-10,15-21,23-24,57H2,1-7H3,(H2,58,78)(H2,59,81)(H,60,61)(H,62,83)(H,63,76)(H,64,88)(H,65,86)(H,66,89)(H,67,87)(H,68,84)(H,69,91)(H,70,82)(H,71,85)(H,72,90)(H,79,80)/f/h61-72,79H,58-59H2

InChIKey: InChIKey=ZPAGXUUSOFJXCP-ZMURJDKUCG
SMILES: CC(C)CC(C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C

Names:
    AIDS-134572
    AIDS134572
    NSC633074
    3-((2-(Acetylamino)-4-methylpentanoyl)amino)-6-(4-aminobutyl)-30-(aminocarbonyl)-24-(2-amino-2-oxoethyl)-15-(4-hydroxybenzyl)-21-(1-hydroxyethyl)-12,18-bis(hydroxymethyl)-27-(1H-imidazol-4-ylmethyl)-9\t,32-dimethyl-4,7,10,13,16,19,22,25,28-nonaoxo-5,8,11,14,17,20,23,26,29-nonaazatritriacontan-1-oic acid
    3-[(2-acetamido-4-methyl-pentanoyl)amino]-3-[[5-amino-1-[1-[[1-[[1-[[1-[[1-[[2-carbamoyl-1-[[1-[(1-carbamoyl-3-methyl-butyl)carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]ethylcarbamoyl]pentyl]carbamoyl]propanoic acid

Registries:
    PubChem CID 365447
    PubChem ID 230521