2-[(C-methylsulfanylcarbonimidoyl)-(phenylmethoxycarbonylamino)amino]ethanoic acid

Systemtic Name: 2-[(C-methylsulfanylcarbonimidoyl)-(phenylmethoxycarbonylamino)amino]ethanoic acid Openeye Name: 2-[benzyloxycarbonylamino-(methylsulfanylcarbonimidoyl)amino]acetic acid CAS Name: 2-[[imino-(methylthio)methyl]-(phenylmethoxycarbonylamino)amino]acetic acid IUPAC Name: 2-[(C-methylsulfanylcarbonimidoyl)-(phenylmethoxycarbonylamino)amino]acetic acid Traditional Name: 2-[benzyloxycarbonylamino-[(methylthio)carbonimidoyl]amino]acetic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)N(CC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSC(=N)N(CC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H15N3O4S/c1-20-11(13)15(7-10(16)17)14-12(18)19-8-9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3,(H,14,18)(H,16,17)