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

Systemtic Name: phenyl (3S)-4-azanyl-4-oxidanylidene-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate Openeye Name: phenyl (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 phenyl ester IUPAC Name: phenyl (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 phenyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC(CC(=O)OC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N[C@@H](CC(=O)OC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H20N4O5/c22-20(28)16(13-19(27)29-15-9-5-2-6-10-15)23-17(26)11-12-18-24-21(25-30-18)14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,22,28)(H,23,26)/t16-/m0/s1