2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxidanylidene-3H-azepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxidanylidene-3H-azepin-1-yl]ethanoic acid Openeye Name: 2-[3-[tert-butoxycarbonyl(methyl)amino]-2-oxo-3H-azepin-1-yl]acetic acid CAS Name: 2-[3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-3H-azepin-1-yl]acetic acid IUPAC Name: 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-3H-azepin-1-yl]acetic acid Traditional Name: 2-[3-[tert-butoxycarbonyl(methyl)amino]-2-keto-3H-azepin-1-yl]acetic acid Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1C=CC=CN(C1=O)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1C=CC=CN(C1=O)CC(=O)O

InChI

InChI=1S/C14H20N2O5/c1-14(2,3)21-13(20)15(4)10-7-5-6-8-16(12(10)19)9-11(17)18/h5-8,10H,9H2,1-4H3,(H,17,18)