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

Systemtic Name: (diphenylmethyl) 2-[[3-(diphenylmethyl)sulfanyl-2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]propanoyl]amino]ethanoate Openeye Name: benzhydryl 2-[[3-benzhydrylsulfanyl-2-[[2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]propanoyl]amino]acetate CAS Name: 2-[[3-[(diphenylmethyl)thio]-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propyl]amino]propyl]amino]acetic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 2-[[3-benzhydrylsulfanyl-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]propanoyl]amino]acetate Traditional Name: 2-[[3-(benzhydrylthio)-2-[[2-(benzyloxycarbonylamino)-3-(tritylthio)propanoyl]amino]propanoyl]amino]acetic acid benzhydryl ester Formula: C61H55N3O6S2 MolecularWeight: 990.2359

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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)NC(CSC(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NCC(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

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)NC(CSC(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NCC(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C61H55N3O6S2/c65-55(70-56(46-27-11-2-12-28-46)47-29-13-3-14-30-47)41-62-58(66)53(43-71-57(48-31-15-4-16-32-48)49-33-17-5-18-34-49)63-59(67)54(64-60(68)69-42-45-25-9-1-10-26-45)44-72-61(50-35-19-6-20-36-50,51-37-21-7-22-38-51)52-39-23-8-24-40-52/h1-40,53-54,56-57H,41-44H2,(H,62,66)(H,63,67)(H,64,68)