(diphenylmethyl) 2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: (diphenylmethyl) 2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoate Openeye Name: benzhydryl 2-[[2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propyl]amino]acetic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(tritylthio)propanoyl]amino]acetic acid benzhydryl ester Formula: C45H40N2O5S MolecularWeight: 720.8745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NCC(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NCC(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C45H40N2O5S/c48-41(52-42(35-21-9-2-10-22-35)36-23-11-3-12-24-36)31-46-43(49)40(47-44(50)51-32-34-19-7-1-8-20-34)33-53-45(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30,40,42H,31-33H2,(H,46,49)(H,47,50)