(2R,3S)-4-[2,6-bis(bromanyl)-4-cyano-phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-butanoic acid

Systemtic Name: (2R,3S)-4-[2,6-bis(bromanyl)-4-cyano-phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-butanoic acid Openeye Name: (2R,3S)-2-(tert-butoxycarbonylamino)-4-(2,6-dibromo-4-cyano-phenoxy)-3-tritylsulfanyl-butanoic acid CAS Name: (2R,3S)-4-(2,6-dibromo-4-cyanophenoxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(triphenylmethyl)thio]butanoic acid IUPAC Name: (2R,3S)-4-(2,6-dibromo-4-cyanophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylbutanoic acid Traditional Name: (2R,3S)-2-(tert-butoxycarbonylamino)-4-(2,6-dibromo-4-cyano-phenoxy)-3-(tritylthio)butyric acid Formula: C35H32Br2N2O5S MolecularWeight: 752.51198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(COC1=C(C=C(C=C1Br)C#N)Br)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]([C@@H](COC1=C(C=C(C=C1Br)C#N)Br)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C35H32Br2N2O5S/c1-34(2,3)44-33(42)39-30(32(40)41)29(22-43-31-27(36)19-23(21-38)20-28(31)37)45-35(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-20,29-30H,22H2,1-3H3,(H,39,42)(H,40,41)/t29-,30+/m1/s1