4-[[(2R)-2-methyl-3-oxidanylidene-4-[(2R)-3-oxidanylidenebutan-2-yl]-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2R)-2-methyl-3-oxidanylidene-4-[(2R)-3-oxidanylidenebutan-2-yl]-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2R)-2-methyl-4-[(1R)-1-methyl-2-oxo-propyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2R)-2-methyl-3-oxo-4-[(2R)-3-oxobutan-2-yl]-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2R)-2-methyl-3-oxo-4-[(2R)-3-oxobutan-2-yl]-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[(2R)-3-keto-4-[(1R)-2-keto-1-methyl-propyl]-2-methyl-1,4-benzoxazin-6-yl]amino]butyric acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)O)C(C)C(=O)C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)O)[C@H](C)C(=O)C

InChI

InChI=1S/C17H20N2O6/c1-9(10(2)20)19-13-8-12(18-15(21)6-7-16(22)23)4-5-14(13)25-11(3)17(19)24/h4-5,8-9,11H,6-7H2,1-3H3,(H,18,21)(H,22,23)/t9-,11-/m1/s1