3-(phenylmethylsulfanyl)-2-(propoxycarbonylamino)propanoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)-2-(propoxycarbonylamino)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(propoxycarbonylamino)propanoic acid CAS Name: 2-[[oxo(propoxy)methyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(propoxycarbonylamino)propanoic acid Traditional Name: 3-(benzylthio)-2-(propoxycarbonylamino)propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(CSCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCOC(=O)NC(CSCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-2-8-19-14(18)15-12(13(16)17)10-20-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,18)(H,16,17)