4-[(2R)-4-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2R)-4-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-4-(2-amino-2-oxo-ethyl)-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-4-(2-amino-2-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-4-(2-amino-2-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-4-(2-amino-2-keto-ethyl)-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C17H19N2O6- MolecularWeight: 347.34256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-9(2)16-17(24)19(8-14(18)21)11-7-10(3-5-13(11)25-16)12(20)4-6-15(22)23/h3,5,7,9,16H,4,6,8H2,1-2H3,(H2,18,21)(H,22,23)/p-1/t16-/m1/s1