2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-2-[(4-methoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-(p-anisylthio)propionic acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC(CNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO5S/c1-24-16-9-7-15(8-10-16)13-26-17(18(21)22)11-20-19(23)25-12-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,20,23)(H,21,22)