3-[3-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propyl]amino]phenoxy]benzoic acid

Systemtic Name: 3-[3-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propyl]amino]phenoxy]benzoic acid Openeye Name: 3-[3-[[1-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propyl]amino]phenoxy]benzoic acid CAS Name: 3-[3-[[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(triphenylmethyl)thio]propyl]amino]phenoxy]benzoic acid IUPAC Name: 3-[3-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropyl]amino]phenoxy]benzoic acid Traditional Name: 3-[3-[[1-(tert-butoxycarbonylamino)-3-(tritylthio)propyl]amino]phenoxy]benzoic acid Formula: C40H40N2O5S MolecularWeight: 660.821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC(=CC=C4)OC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC(=CC=C4)OC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C40H40N2O5S/c1-39(2,3)47-38(45)42-36(41-33-22-14-24-35(28-33)46-34-23-13-15-29(27-34)37(43)44)25-26-48-40(30-16-7-4-8-17-30,31-18-9-5-10-19-31)32-20-11-6-12-21-32/h4-24,27-28,36,41H,25-26H2,1-3H3,(H,42,45)(H,43,44)