tert-butyl N-[(2R)-1-[[4-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[[4-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[3-benzoyl-4-[(2,5-dichlorobenzoyl)amino]anilino]-2-oxo-1-(tritylsulfanylmethyl)ethyl]carbamate CAS Name: N-[(2R)-1-[3-benzoyl-4-[[(2,5-dichlorophenyl)-oxomethyl]amino]anilino]-1-oxo-3-[(triphenylmethyl)thio]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[3-benzoyl-4-[(2,5-dichlorobenzoyl)amino]anilino]-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[3-benzoyl-4-[(2,5-dichlorobenzoyl)amino]anilino]-2-keto-1-[(tritylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C47H41Cl2N3O5S MolecularWeight: 830.81654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=C(C=CC(=C5)Cl)Cl)C(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=C(C=CC(=C5)Cl)Cl)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C47H41Cl2N3O5S/c1-46(2,3)57-45(56)52-41(30-58-47(32-18-10-5-11-19-32,33-20-12-6-13-21-33)34-22-14-7-15-23-34)44(55)50-36-25-27-40(38(29-36)42(53)31-16-8-4-9-17-31)51-43(54)37-28-35(48)24-26-39(37)49/h4-29,41H,30H2,1-3H3,(H,50,55)(H,51,54)(H,52,56)/t41-/m0/s1