ethyl (2S)-2-[[(2S)-1-imidazol-1-yl-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-1-imidazol-1-yl-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl (2S)-2-[[(1S)-2-imidazol-1-yl-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoate CAS Name: (2S)-2-[[(2S)-1-(1-imidazolyl)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-1-imidazol-1-yl-1-oxopropan-2-yl]amino]-4-phenylbutanoate Traditional Name: (2S)-2-[[(1S)-2-imidazol-1-yl-2-keto-1-methyl-ethyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C=CN=C2

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2C=CN=C2

InChI

InChI=1S/C18H23N3O3/c1-3-24-18(23)16(10-9-15-7-5-4-6-8-15)20-14(2)17(22)21-12-11-19-13-21/h4-8,11-14,16,20H,3,9-10H2,1-2H3/t14-,16-/m0/s1