AIDS-122677

Molecular Formula: C₅₁H₅₉F₂N₇O₁₃S

InChI: InChI=1/C51H59F2N7O13S/c1-28(61)54-37(27-42(66)67)49(72)55-34(22-24-41(64)65)47(70)60-44(43(30-15-7-3-8-16-30)31-17-9-4-10-18-31)50(73)56-33(21-23-40(62)63)46(69)58-36(25-29-13-5-2-6-14-29)48(71)57-35(26-39(52)53)45(68)51-59-32-19-11-12-20-38(32)74-51/h3-4,7-12,15-20,29,33-37,39,43-44H,2,5-6,13-14,21-27H2,1H3,(H,54,61)(H,55,72)(H,56,73)(H,57,71)(H,58,69)(H,60,70)(H,62,63)(H,64,65)(H,66,67)/t33-,34-,35-,36-,37-,44-/m0/s1/f/h54-58,60,62,64,66H

InChIKey: InChIKey=UCCKMSDPSUCKKP-IVBZQDQRDC
SMILES: CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)NC(CC(F)F)C(=O)C4=NC5=CC=CC=C5S4

Names:
    AIDS-122677
    AIDS122677
    (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxy-propanoyl]amino]-4-carboxy-butanoyl]amino]-3,3-diphenyl-propanoyl]amino]-4-[[(1S)-1-[[(2S)-1-benzothiazol-2-yl-4,4-difluoro-1-oxo-butan-2-yl]carbamoyl]-2-cyclohexyl-ethyl]carbamoyl]butanoic acid
    (4S)-4-{N-[(1S)-1-(N-{(1S)-1-[N-((1S)-1-{N-[(1S)-2-Benzothiazol-2-yl-1-(2,2-difluoroethyl)-2-oxoethyl]carbamoyl

Registries:
    PubChem CID 493288
    PubChem ID 219066