1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C1=NC(=NO1)C2=CN=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C1=NC(=NO1)C2=CN=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O5/c1-14(2)18(24-22(28)29-13-16-8-5-4-6-9-16)21(27)30-15(3)20-25-19(26-31-20)17-10-7-11-23-12-17/h4-12,14-15,18H,13H2,1-3H3,(H,24,28)/t15?,18-/m0/s1