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

Systemtic Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H25N3O6/c1-13-15(26-22(30)32-23(2,3)4)10-11-16-18(13)20(29)31-21(24-16)25-17(19(27)28)12-14-8-6-5-7-9-14/h5-11,17H,12H2,1-4H3,(H,24,25)(H,26,30)(H,27,28)