AIDS-134577

Molecular Formula: C₄₄H₆₉N₁₃O₁₅

InChI: InChI=1/C44H69N13O15/c1-21(2)13-31(44(71)72)54-39(66)29(15-25-17-48-20-49-25)52-40(67)30(16-34(47)62)53-43(70)35(23(4)60)57-42(69)33(19-59)56-38(65)28(14-24-8-10-26(61)11-9-24)51-41(68)32(18-58)55-36(63)22(3)50-37(64)27(46)7-5-6-12-45/h8-11,17,20-23,27-33,35,58-61H,5-7,12-16,18-19,45-46H2,1-4H3,(H2,47,62)(H,48,49)(H,50,64)(H,51,68)(H,52,67)(H,53,70)(H,54,66)(H,55,63)(H,56,65)(H,57,69)(H,71,72)/f/h49-57,71H,47H2

InChIKey: InChIKey=YJIYHVASNMCSIZ-GEENDENRCM
SMILES: CC(C)CC(C(=O)O)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)N

Names:
    AIDS-134577
    AIDS134577
    NSC633080
    2-[[2-[[3-carbamoyl-2-[[2-[[2-[[2-[[2-[2-(2,6-diaminohexanoylamino)propanoylamino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-4-methyl-pentanoic acid
    26,30-Diamino-8-(2-amino-2-oxoethyl)-17-(4-hydroxybenzyl)-11-(1-hydroxyethyl)-14,20-bis(hydroxymethyl)-5-(1H-imidazol-4-ylmethyl)-2-isobutyl-23-methyl-4,7,10,13,16,19,22,25-octaoxo-3,6,9,12,15,18,21,2\t4-octaazatriacontan-1-oic acid

Registries:
    PubChem CID 365450
    PubChem ID 230526