2-[[[(2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2S)-3-methyl-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]methyl]-4-nitro-phenolate Formula: C20H22N3O6- MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O6/c1-13(2)19(22-18(25)12-29-16-6-4-3-5-7-16)20(26)21-11-14-10-15(23(27)28)8-9-17(14)24/h3-10,13,19,24H,11-12H2,1-2H3,(H,21,26)(H,22,25)/p-1/t19-/m0/s1