tert-butyl (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxo-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-5-cyano-2-methyl-1,4-dioxopentyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxopentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-5-cyano-4-keto-2-methyl-pentanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CC#N)C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](CC(=O)CC#N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N2O4/c1-14(12-16(23)10-11-21)18(24)22-17(19(25)26-20(2,3)4)13-15-8-6-5-7-9-15/h5-9,14,17H,10,12-13H2,1-4H3,(H,22,24)/t14-,17+/m1/s1