AIDS-135330

Molecular Formula: C₄₈H₇₄N₁₄O₁₈

InChI: InChI=1/C48H74N14O18/c1-22(2)13-28(50)40(71)56-32(17-37(68)69)44(75)55-29(7-5-6-12-49)41(72)54-23(3)39(70)60-34(19-63)45(76)57-30(14-25-8-10-27(66)11-9-25)42(73)61-35(20-64)46(77)62-38(24(4)65)47(78)58-31(16-36(51)67)43(74)59-33(48(79)80)15-26-18-52-21-53-26/h8-11,18,21-24,28-35,38,63-66H,5-7,12-17,19-20,49-50H2,1-4H3,(H2,51,67)(H,52,53)(H,54,72)(H,55,75)(H,56,71)(H,57,76)(H,58,78)(H,59,74)(H,60,70)(H,61,73)(H,62,77)(H,68,69)(H,79,80)/f/h53-62,68,79H,51H2

InChIKey: InChIKey=GQZJMFMYGOLAMQ-BSXBQYSKCU
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)O)N

Names:
    AIDS-135330
    AIDS135330
    NSC634817
    23-(4-Aminobutyl)-26-((2-amino-4-methylpentanoyl)amino)-5-(2-amino-2-oxoethyl)-14-(4-hydroxybenzyl)-8-(1-hydroxyethyl)-11,17-bis(hydroxymethyl)-2-(1H-imidazol-4-ylmethyl)-20-methyl-4,7,10,13,16,19,22,\t25-octaoxo-3,6,9,12,15,18,21,24-octaazaoctacosane-1,28-dioic acid
    3-[[5-amino-1-[1-[[1-[[1-[[1-[[1-[[2-carbamoyl-1-[[1-carboxy-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

Registries:
    PubChem CID 366442
    PubChem ID 231279