2-phenyl-3-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]ethanoyl]-1,3-oxazolidine-5-carboxylic acid

Systemtic Name: 2-phenyl-3-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]ethanoyl]-1,3-oxazolidine-5-carboxylic acid Openeye Name: 2-phenyl-3-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]acetyl]oxazolidine-5-carboxylic acid CAS Name: 3-[2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-1-oxoethyl]-2-phenyl-5-oxazolidinecarboxylic acid IUPAC Name: 2-phenyl-3-[2-[(3-phenyl-2-sulfanylpropanoyl)amino]acetyl]-1,3-oxazolidine-5-carboxylic acid Traditional Name: 3-[2-[(2-mercapto-3-phenyl-propanoyl)amino]acetyl]-2-phenyl-oxazolidine-5-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(N1C(=O)CNC(=O)C(CC2=CC=CC=C2)S)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(OC(N1C(=O)CNC(=O)C(CC2=CC=CC=C2)S)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c24-18(12-22-19(25)17(29)11-14-7-3-1-4-8-14)23-13-16(21(26)27)28-20(23)15-9-5-2-6-10-15/h1-10,16-17,20,29H,11-13H2,(H,22,25)(H,26,27)