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

Systemtic Name: 4-[[(2R)-4-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2R)-4-(2-amino-2-oxo-ethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2R)-4-(2-amino-2-oxoethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2R)-4-(2-amino-2-oxoethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(2R)-4-(2-amino-2-keto-ethyl)-2-ethyl-3-keto-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C16H18N3O6- MolecularWeight: 348.33062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-2-11-16(24)19(8-13(17)20)10-7-9(3-4-12(10)25-11)18-14(21)5-6-15(22)23/h3-4,7,11H,2,5-6,8H2,1H3,(H2,17,20)(H,18,21)(H,22,23)/p-1/t11-/m1/s1