(3S)-4-[[(1R)-1-cyano-2-phenyl-ethyl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (3S)-4-[[(1R)-1-cyano-2-phenyl-ethyl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-[[(1R)-1-cyano-2-phenyl-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-4-[[(1R)-1-cyano-2-phenylethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate IUPAC Name: (3S)-4-[[(1R)-1-cyano-2-phenylethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-[[(1R)-1-cyano-2-phenyl-ethyl]amino]-4-keto-butyrate Formula: C21H20N3O5- MolecularWeight: 394.4006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C#N)NC(=O)C(CC(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C#N)NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O5/c22-13-17(11-15-7-3-1-4-8-15)23-20(27)18(12-19(25)26)24-21(28)29-14-16-9-5-2-6-10-16/h1-10,17-18H,11-12,14H2,(H,23,27)(H,24,28)(H,25,26)/p-1/t17-,18+/m1/s1