methyl (2S)-3-oxidanyl-2-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate CAS Name: (2S)-3-hydroxy-2-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate Traditional Name: (2S)-3-hydroxy-2-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]propionic acid methyl ester Formula: C15H18N2O6 MolecularWeight: 322.31322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCN1C(=O)COC2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CCN1C(=O)COC2=CC=CC=C21

InChI

InChI=1S/C15H18N2O6/c1-22-15(21)10(8-18)16-13(19)6-7-17-11-4-2-3-5-12(11)23-9-14(17)20/h2-5,10,18H,6-9H2,1H3,(H,16,19)/t10-/m0/s1