(2S)-2-[(4-fluorophenyl)methyl-thiophen-2-ylcarbonyl-amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(4-fluorophenyl)methyl-thiophen-2-ylcarbonyl-amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(4-fluorophenyl)methyl-(thiophene-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(4-fluorophenyl)methyl-[oxo(thiophen-2-yl)methyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(4-fluorophenyl)methyl-(thiophene-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(4-fluorobenzyl)-(2-thenoyl)amino]-3-methyl-butyric acid Formula: C17H18FNO3S MolecularWeight: 335.393123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=C(C=C1)F)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC=C(C=C1)F)C(=O)C2=CC=CS2

InChI

InChI=1S/C17H18FNO3S/c1-11(2)15(17(21)22)19(16(20)14-4-3-9-23-14)10-12-5-7-13(18)8-6-12/h3-9,11,15H,10H2,1-2H3,(H,21,22)/t15-/m0/s1