(phenylmethyl) (3S)-4-azanyl-4-oxidanylidene-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate

Systemtic Name: (phenylmethyl) (3S)-4-azanyl-4-oxidanylidene-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate Openeye Name: benzyl (3S)-4-amino-4-oxo-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate CAS Name: (3S)-4-amino-4-oxo-3-[[1-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-amino-4-oxo-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate Traditional Name: (3S)-4-amino-4-keto-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butyric acid benzyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)N)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)N)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5/c23-21(29)17(13-20(28)30-14-15-7-3-1-4-8-15)24-18(27)11-12-19-25-22(26-31-19)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,23,29)(H,24,27)/t17-/m0/s1