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

Systemtic Name: 2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]propanoic acid Openeye Name: 2-[[6-[(tert-butoxycarbonylamino)methyl]-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]methyl]-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid IUPAC Name: 2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid Traditional Name: 2-[[6-[(tert-butoxycarbonylamino)methyl]-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]propionic acid Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6/c1-9-11(8-19-17(25)27-18(3,4)5)6-7-12-13(9)15(24)26-16(21-12)20-10(2)14(22)23/h6-7,10H,8H2,1-5H3,(H,19,25)(H,20,21)(H,22,23)