N-[(2S)-1-(2-acetamidoethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-(2-acetamidoethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-(2-acetamidoethylcarbamoyl)-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[(2S)-1-(2-acetamidoethylamino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[(2S)-1-(2-acetamidoethylamino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: N-[(1S)-1-(2-acetamidoethylcarbamoyl)-2-methyl-propyl]-4-fluoro-benzamide Formula: C16H22FN3O3 MolecularWeight: 323.362583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCNC(=O)C)NC(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCNC(=O)C)NC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C16H22FN3O3/c1-10(2)14(16(23)19-9-8-18-11(3)21)20-15(22)12-4-6-13(17)7-5-12/h4-7,10,14H,8-9H2,1-3H3,(H,18,21)(H,19,23)(H,20,22)/t14-/m0/s1