(2S)-2-[[2-cyano-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]amino]-4-methoxy-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-[[2-cyano-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]amino]-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(4-tert-butoxycarbonyl-2-cyano-anilino)-4-methoxy-4-oxo-butanoic acid CAS Name: (2S)-2-[2-cyano-4-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino]-4-methoxy-4-oxobutanoic acid IUPAC Name: (2S)-2-[2-cyano-4-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-4-methoxy-4-oxobutanoic acid Traditional Name: (2S)-2-(4-tert-butoxycarbonyl-2-cyano-anilino)-4-keto-4-methoxy-butyric acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-17(2,3)25-16(23)10-5-6-12(11(7-10)9-18)19-13(15(21)22)8-14(20)24-4/h5-7,13,19H,8H2,1-4H3,(H,21,22)/t13-/m0/s1