6-oxidanylidene-6-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethylamino]hexanoic acid

Systemtic Name: 6-oxidanylidene-6-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethylamino]hexanoic acid Openeye Name: 6-oxo-6-[2-(1-tritylsulfanylimidazol-4-yl)ethylamino]hexanoic acid CAS Name: 6-oxo-6-[2-[1-[(triphenylmethyl)thio]-4-imidazolyl]ethylamino]hexanoic acid IUPAC Name: 6-oxo-6-[2-(1-tritylsulfanylimidazol-4-yl)ethylamino]hexanoic acid Traditional Name: 6-keto-6-[2-[1-(tritylthio)imidazol-4-yl]ethylamino]hexanoic acid Formula: C30H31N3O3S MolecularWeight: 513.65044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)CCCCC(=O)O

InChI

InChI=1S/C30H31N3O3S/c34-28(18-10-11-19-29(35)36)31-21-20-27-22-33(23-32-27)37-30(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,12-17,22-23H,10-11,18-21H2,(H,31,34)(H,35,36)