AIDS-134571

Molecular Formula: C₅₄H₈₆N₁₆O₁₈

InChI: InChI=1/C54H86N16O18/c1-25(2)15-32(56)46(80)64-38(20-42(76)77)51(85)62-33(9-7-8-14-55)47(81)61-27(5)45(79)68-39(22-71)52(86)65-35(17-29-10-12-31(74)13-11-29)48(82)69-40(23-72)53(87)70-43(28(6)73)54(88)67-37(19-41(57)75)50(84)66-36(18-30-21-59-24-60-30)49(83)63-34(44(58)78)16-26(3)4/h10-13,21,24-28,32-40,43,71-74H,7-9,14-20,22-23,55-56H2,1-6H3,(H2,57,75)(H2,58,78)(H,59,60)(H,61,81)(H,62,85)(H,63,83)(H,64,80)(H,65,86)(H,66,84)(H,67,88)(H,68,79)(H,69,82)(H,70,87)(H,76,77)/f/h60-70,76H,57-58H2

InChIKey: InChIKey=PCGSTXNLZVFFTR-HQVJKXBGCJ
SMILES: CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(C)C)C(=O)N)N

Names:
    AIDS-134571
    AIDS134571
    NSC633073
    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]-3-[(2-amino-4-methyl-pentanoyl)amino]propanoic acid
    6-(4-Aminobutyl)-30-(aminocarbonyl)-3-((2-amino-4-methylpentanoyl)amino)-24-(2-amino-2-oxoethyl)-15-(4-hydroxybenzyl)-21-(1-hydroxyethyl)-12,18-bis(hydroxymethyl)-27-(1H-imidazol-4-ylmethyl)-9,32-dime\tthyl-4,7,10,13,16,19,22,25,28-nonaoxo-5,8,11,14,17,20,23,26,29-nonaazatritriacontan-1-oic acid

Registries:
PubChem CID 365446
PubChem ID 230520