2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]propanoic acid

Systemtic Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]propanoic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid CAS Name: 2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid IUPAC Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]propionic acid Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H21N3O6/c1-8-10(20-16(24)26-17(3,4)5)6-7-11-12(8)14(23)25-15(19-11)18-9(2)13(21)22/h6-7,9H,1-5H3,(H,18,19)(H,20,24)(H,21,22)