(4-methylsulfanylphenyl) 2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

Systemtic Name: (4-methylsulfanylphenyl) 2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate Openeye Name: (4-methylsulfanylphenyl) 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]propanoate CAS Name: 2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]propionic acid [4-(methylthio)phenyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)SC)NC(=O)C(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)SC)NC(=O)C(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6S/c1-14(20(26)29-16-8-10-17(30-2)11-9-16)22-19(25)18(12-24)23-21(27)28-13-15-6-4-3-5-7-15/h3-11,14,18,24H,12-13H2,1-2H3,(H,22,25)(H,23,27)