(2S)-N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-N-[2-(2-bromoanilino)-2-oxo-ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-N-[2-(2-bromoanilino)-2-keto-ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)NC1=CC=CC=C1Br)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)NC1=CC=CC=C1Br)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H24BrN3O3/c1-14(2)20(25-18(26)12-15-8-4-3-5-9-15)21(28)23-13-19(27)24-17-11-7-6-10-16(17)22/h3-11,14,20H,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t20-/m0/s1