2-azanyl-3-[3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[(4,5-diphenyloxazol-2-yl)thio]methyl]phenyl]propionic acid Formula: C25H22N2O3S MolecularWeight: 430.51878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)SCC3=CC=CC(=C3)CC(C(=O)O)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)SCC3=CC=CC(=C3)CC(C(=O)O)N)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c26-21(24(28)29)15-17-8-7-9-18(14-17)16-31-25-27-22(19-10-3-1-4-11-19)23(30-25)20-12-5-2-6-13-20/h1-14,21H,15-16,26H2,(H,28,29)