2-azanyl-3-[[2,4-bis(oxidanylidene)-1,3-oxazin-5-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[2,4-bis(oxidanylidene)-1,3-oxazin-5-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(2,4-dioxo-1,3-oxazin-5-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(2,4-dioxo-1,3-oxazin-5-yl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(2,4-dioxo-1,3-oxazin-5-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(2,4-diketo-1,3-oxazin-5-yl)methylthio]propionic acid Formula: C8H10N2O5S MolecularWeight: 246.2404

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=O)O1)CSCC(C(=O)O)N

Isomeric SMILES

C1=C(C(=O)NC(=O)O1)CSCC(C(=O)O)N

InChI

InChI=1S/C8H10N2O5S/c9-5(7(12)13)3-16-2-4-1-15-8(14)10-6(4)11/h1,5H,2-3,9H2,(H,12,13)(H,10,11,14)