(2S)-N-(2-azanyl-2-sulfanyl-ethyl)-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-sulfamoylphenyl)phenyl]ethyl]amino]pentanamide

Systemtic Name: (2S)-N-(2-azanyl-2-sulfanyl-ethyl)-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-sulfamoylphenyl)phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-N-(2-amino-2-sulfanyl-ethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-sulfamoylphenyl)phenyl]ethyl]amino]pentanamide CAS Name: (2S)-N-(2-amino-2-mercaptoethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-sulfamoylphenyl)phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-N-(2-amino-2-sulfanylethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-sulfamoylphenyl)phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-N-(2-amino-2-mercapto-ethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-sulfamoylphenyl)phenyl]ethyl]amino]valeramide Formula: C22H29F3N4O3S2 MolecularWeight: 518.61587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29F3N4O3S2/c1-13(2)11-18(21(30)28-12-19(26)33)29-20(22(23,24)25)16-5-3-14(4-6-16)15-7-9-17(10-8-15)34(27,31)32/h3-10,13,18-20,29,33H,11-12,26H2,1-2H3,(H,28,30)(H2,27,31,32)/t18-,19?,20-/m0/s1