3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]carbonyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]carbonyl]pyrazine-2-carboxylic acid Openeye Name: 3-(4-tert-butoxycarbonyl-1,4-diazepane-1-carbonyl)pyrazine-2-carboxylic acid CAS Name: 3-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-diazepan-1-yl]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid Traditional Name: 3-(4-tert-butoxycarbonyl-1,4-diazepane-1-carbonyl)pyrazinoic acid Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C16H22N4O5/c1-16(2,3)25-15(24)20-8-4-7-19(9-10-20)13(21)11-12(14(22)23)18-6-5-17-11/h5-6H,4,7-10H2,1-3H3,(H,22,23)