(2S)-2-acetamido-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide Openeye Name: (2S)-2-acetamido-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-methyl-butanamide CAS Name: (2S)-2-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide IUPAC Name: (2S)-2-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide Traditional Name: (2S)-2-acetamido-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-methyl-butyramide Formula: C16H22BrN3O3 MolecularWeight: 384.26818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C16H22BrN3O3/c1-9(2)15(19-11(4)21)16(23)18-8-14(22)20-13-6-5-12(17)7-10(13)3/h5-7,9,15H,8H2,1-4H3,(H,18,23)(H,19,21)(H,20,22)/t15-/m0/s1