AIDS-134582

Molecular Formula: C₄₆H₈₀N₁₄O₁₇

InChI: InChI=1/C46H80N14O17/c1-23(2)17-28(39(70)55-27(45(76)77)10-7-15-51-46(49)50)56-40(71)29(19-36(66)67)57-42(73)32(22-62)59-38(69)26(9-5-6-14-47)54-43(74)33-11-8-16-60(33)44(75)30(18-24(3)4)58-41(72)31(21-61)53-34(63)20-52-37(68)25(48)12-13-35(64)65/h23-33,61-62H,5-22,47-48H2,1-4H3,(H,52,68)(H,53,63)(H,54,74)(H,55,70)(H,56,71)(H,57,73)(H,58,72)(H,59,69)(H,64,65)(H,66,67)(H,76,77)(H4,49,50,51)/f/h52-59,64,66,76H,49-50H2

InChIKey: InChIKey=CTMMNYNJBWMWHD-JULBCKHICQ
SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)CNC(=O)C(CCC(=O)O)N

Names:
    AIDS-134582
    AIDS134582
    NSC633085
    3-(4-Aminobutyl)-1-(1-(2-((2-((((2-amino-4-carboxybutanoyl)amino)acetyl)amino)-3-hydroxypropanoyl)amino)-4-methylpentanoyl)-2-pyrrolidinyl)-15-(3-((amino(imino)methyl)amino)propyl)-9-(carboxymethyl)-6\t-(hydroxymethyl)-12-isobutyl-1,4,7,10,13-pentaoxo-2,5,8,11,14-pentaazahexadecan-16-oic acid
    4-amino-4-[[1-[[1-[2-[[5-amino-1-[[1-[[2-carboxy-1-[[1-[[1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]-3-methyl-butyl]carbamoyl]ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]pentyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxo-pentan-2-yl]carbamoyl]-2-hydroxy-ethyl]carbamoylmethylcarbamoyl]butanoic acid

Registries:
PubChem CID 365455
PubChem ID 230531