4-[[5-methyl-4-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3,1-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-methyl-4-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3,1-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-5-methyl-3,1-benzoxazin-6-yl]amino]-4-keto-butyric acid Formula: C22H21N3O7 MolecularWeight: 439.41804

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O7/c1-12-14(23-17(26)9-10-18(27)28)7-8-15-19(12)21(31)32-22(24-15)25-16(20(29)30)11-13-5-3-2-4-6-13/h2-8,16H,9-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)(H,29,30)