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

Systemtic Name: 3-methoxy-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]-3-methoxy-propanoic acid CAS Name: 3-methoxy-2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid IUPAC Name: 3-methoxy-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]-3-methoxy-propionic acid Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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