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

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(tert-butoxycarbonylamino)-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-phenylpropanoic acid Traditional Name: 2-[(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=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)O)NC(=O)OC(C)(C)C

InChI

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