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

Systemtic Name: 3-methoxy-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoic acid Openeye Name: 2-[(tert-butoxycarbonylamino)-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-methoxy-propanoic acid CAS Name: 3-methoxy-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]propanoic acid IUPAC Name: 3-methoxy-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoic acid Traditional Name: 2-[(tert-butoxycarbonylamino)-(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]-3-methoxy-propionic acid Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7/c1-10-7-6-8-11-13(10)15(24)27-16(19-11)21(12(9-26-5)14(22)23)20-17(25)28-18(2,3)4/h6-8,12H,9H2,1-5H3,(H,20,25)(H,22,23)