(2S)-3-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-3-methyl-N-[2-(4-nitroanilino)ethyl]-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-3-methyl-N-[2-(4-nitroanilino)ethyl]-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-3-methyl-N-[2-(4-nitroanilino)ethyl]-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-N-[2-(4-nitroanilino)ethyl]-2-[(2-phenylacetyl)amino]butyramide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O4/c1-15(2)20(24-19(26)14-16-6-4-3-5-7-16)21(27)23-13-12-22-17-8-10-18(11-9-17)25(28)29/h3-11,15,20,22H,12-14H2,1-2H3,(H,23,27)(H,24,26)/t20-/m0/s1