(2S)-N-[(2S)-1-[methoxy(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

Systemtic Name: (2S)-N-[(2S)-1-[methoxy(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-N-[(1S)-1-[methoxy(methyl)carbamoyl]-3-methylsulfanyl-propyl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide CAS Name: (2S)-N-[(2S)-1-[methoxy(methyl)amino]-4-(methylthio)-1-oxobutan-2-yl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-N-[(2S)-1-[methoxy(methyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-N-[(1S)-1-[methoxy(methyl)carbamoyl]-3-(methylthio)propyl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-mesylphenyl)phenyl]ethyl]amino]valeramide Formula: C28H38F3N3O5S2 MolecularWeight: 617.74363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)N(C)OC)NC(C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N(C)OC)N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C28H38F3N3O5S2/c1-18(2)17-24(26(35)33-23(15-16-40-5)27(36)34(3)39-4)32-25(28(29,30)31)21-9-7-19(8-10-21)20-11-13-22(14-12-20)41(6,37)38/h7-14,18,23-25,32H,15-17H2,1-6H3,(H,33,35)/t23-,24-,25-/m0/s1