methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-pyridin-3-yl-pentanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-pyridin-3-yl-pentanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-5-oxo-5-(3-pyridyl)pentanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-(3-pyridinyl)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-pyridin-3-ylpentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-keto-5-(3-pyridyl)valeric acid methyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)C1=CN=CC=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-16(2,3)23-15(21)18-12(14(20)22-4)7-8-13(19)11-6-5-9-17-10-11/h5-6,9-10,12H,7-8H2,1-4H3,(H,18,21)/t12-/m0/s1