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

Systemtic Name: (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-nitrophenoxy)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-(tert-butoxycarbonylamino)-5-(4-nitrophenoxy)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(4-nitrophenoxy)-5-oxopentanoic acid IUPAC Name: (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-nitrophenoxy)-5-oxopentanoic acid Traditional Name: (4S)-4-(tert-butoxycarbonylamino)-5-keto-5-(4-nitrophenoxy)valeric acid Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O8/c1-16(2,3)26-15(22)17-12(8-9-13(19)20)14(21)25-11-6-4-10(5-7-11)18(23)24/h4-7,12H,8-9H2,1-3H3,(H,17,22)(H,19,20)/t12-/m0/s1