methyl 3-(2-azanylethanoylamino)-2-(phenoxysulfinylamino)propanoate

Systemtic Name: methyl 3-(2-azanylethanoylamino)-2-(phenoxysulfinylamino)propanoate Openeye Name: methyl 3-[(2-aminoacetyl)amino]-2-(phenoxysulfinylamino)propanoate CAS Name: 3-[(2-amino-1-oxoethyl)amino]-2-(phenoxysulfinylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[(2-aminoacetyl)amino]-2-(phenoxysulfinylamino)propanoate Traditional Name: 3-(glycylamino)-2-(phenoxysulfinylamino)propionic acid methyl ester Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)CN)NS(=O)OC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CNC(=O)CN)NS(=O)OC1=CC=CC=C1

InChI

InChI=1S/C12H17N3O5S/c1-19-12(17)10(8-14-11(16)7-13)15-21(18)20-9-5-3-2-4-6-9/h2-6,10,15H,7-8,13H2,1H3,(H,14,16)