(2S)-4-cyano-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-4-cyano-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-4-cyano-5-methoxy-5-oxo-pentanoic acid CAS Name: (2S)-4-cyano-5-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-4-cyano-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-cyano-5-keto-5-methoxy-valeric acid Formula: C12H18N2O6 MolecularWeight: 286.28112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O6/c1-12(2,3)20-11(18)14-8(9(15)16)5-7(6-13)10(17)19-4/h7-8H,5H2,1-4H3,(H,14,18)(H,15,16)/t7?,8-/m0/s1