2-azanyl-3-[bis(3,4-diethylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[bis(3,4-diethylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[bis(3,4-diethylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[bis(3,4-diethylphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[bis(3,4-diethylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[bis(3,4-diethylphenyl)methylthio]propionic acid Formula: C24H33NO2S MolecularWeight: 399.58932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)CC)CC)SCC(C(=O)O)N)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)CC)CC)SCC(C(=O)O)N)CC

InChI

InChI=1S/C24H33NO2S/c1-5-16-9-11-20(13-18(16)7-3)23(28-15-22(25)24(26)27)21-12-10-17(6-2)19(8-4)14-21/h9-14,22-23H,5-8,15,25H2,1-4H3,(H,26,27)