(2S)-2-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoic acid

Systemtic Name: (2S)-2-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoic acid Openeye Name: (2S)-2-(3-imidazol-1-ylpropylamino)-4-oxo-4-(4-phenoxyanilino)butanoic acid CAS Name: (2S)-2-[3-(1-imidazolyl)propylamino]-4-oxo-4-(4-phenoxyanilino)butanoic acid IUPAC Name: (2S)-2-(3-imidazol-1-ylpropylamino)-4-oxo-4-(4-phenoxyanilino)butanoic acid Traditional Name: (2S)-2-(3-imidazol-1-ylpropylamino)-4-keto-4-(4-phenoxyanilino)butyric acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC(C(=O)O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[C@@H](C(=O)O)NCCCN3C=CN=C3

InChI

InChI=1S/C22H24N4O4/c27-21(15-20(22(28)29)24-11-4-13-26-14-12-23-16-26)25-17-7-9-19(10-8-17)30-18-5-2-1-3-6-18/h1-3,5-10,12,14,16,20,24H,4,11,13,15H2,(H,25,27)(H,28,29)/t20-/m0/s1