(2S)-2-[(4-fluorophenyl)sulfonylcarbamoyl-(phenylmethyl)amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(4-fluorophenyl)sulfonylcarbamoyl-(phenylmethyl)amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[benzyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(4-fluorophenyl)sulfonylamino]-oxomethyl]-(phenylmethyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[benzyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[benzyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-3-methyl-butyric acid Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=CC=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC=CC=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H21FN2O5S/c1-13(2)17(18(23)24)22(12-14-6-4-3-5-7-14)19(25)21-28(26,27)16-10-8-15(20)9-11-16/h3-11,13,17H,12H2,1-2H3,(H,21,25)(H,23,24)/t17-/m0/s1