2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3H-azepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3H-azepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-2-oxo-3H-azepin-1-yl]acetic acid CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-3H-azepin-1-yl]acetic acid IUPAC Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-azepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-keto-3H-azepin-1-yl]acetic acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C=CC=CN(C1=O)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1C=CC=CN(C1=O)CC(=O)O

InChI

InChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)14-9-6-4-5-7-15(11(9)18)8-10(16)17/h4-7,9H,8H2,1-3H3,(H,14,19)(H,16,17)