2-(phenylmethoxycarbonylamino)-4-[[1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]butanoate

Systemtic Name: 2-(phenylmethoxycarbonylamino)-4-[[1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]butanoate Openeye Name: 2-(benzyloxycarbonylamino)-4-[(1-tritylimidazol-4-yl)methylsulfanyl]butanoate CAS Name: 2-(phenylmethoxycarbonylamino)-4-[[1-(triphenylmethyl)-4-imidazolyl]methylthio]butanoate IUPAC Name: 2-(phenylmethoxycarbonylamino)-4-[(1-tritylimidazol-4-yl)methylsulfanyl]butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-[(1-tritylimidazol-4-yl)methylthio]butyrate Formula: C35H32N3O4S- MolecularWeight: 590.71128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCSCC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCSCC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C35H33N3O4S/c39-33(40)32(37-34(41)42-24-27-13-5-1-6-14-27)21-22-43-25-31-23-38(26-36-31)35(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,23,26,32H,21-22,24-25H2,(H,37,41)(H,39,40)/p-1