methyl (2S)-5-(4-chloranylpyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-5-(4-chloranylpyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-5-(4-chloro-3-pyridyl)-5-oxo-pentanoate CAS Name: (2S)-5-(4-chloro-3-pyridinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(4-chloropyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(4-chloro-3-pyridyl)-5-keto-valeric acid methyl ester Formula: C16H21ClN2O5 MolecularWeight: 356.80134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5/c1-16(2,3)24-15(22)19-12(14(21)23-4)5-6-13(20)10-9-18-8-7-11(10)17/h7-9,12H,5-6H2,1-4H3,(H,19,22)/t12-/m0/s1