methyl 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]-pyridin-3-yl-amino]propanoate

Systemtic Name: methyl 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]-pyridin-3-yl-amino]propanoate Openeye Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]-(3-pyridyl)amino]propanoate CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]-(3-pyridinyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]-pyridin-3-ylamino]propanoate Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]-(3-pyridyl)amino]propionic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CN=CC=C1)C(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)N(C1=CN=CC=C1)C(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c1-19(25(30)32-2)28(23-14-9-15-27-17-23)24(29)22(16-20-10-5-3-6-11-20)18-33-26(31)21-12-7-4-8-13-21/h3-15,17,19,22H,16,18H2,1-2H3