(2S)-2-[[4-[4-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]phenyl]phenyl]sulfonyl-methyl-amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[4-[4-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]phenyl]phenyl]sulfonyl-methyl-amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[4-[4-[[2-(3,5-difluorophenyl)acetyl]amino]phenyl]phenyl]sulfonyl-methyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[4-[4-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]phenyl]phenyl]sulfonyl-methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[4-[4-[[2-(3,5-difluorophenyl)acetyl]amino]phenyl]phenyl]sulfonyl-methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[4-[4-[[2-(3,5-difluorophenyl)acetyl]amino]phenyl]phenyl]sulfonyl-methyl-amino]-3-methyl-butyric acid Formula: C26H26F2N2O5S MolecularWeight: 516.556846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CC3=CC(=CC(=C3)F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C26H26F2N2O5S/c1-16(2)25(26(32)33)30(3)36(34,35)23-10-6-19(7-11-23)18-4-8-22(9-5-18)29-24(31)14-17-12-20(27)15-21(28)13-17/h4-13,15-16,25H,14H2,1-3H3,(H,29,31)(H,32,33)/t25-/m0/s1