tert-butyl N-[(2R)-1-[[4-[2-(4-chlorophenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[[4-[2-(4-chlorophenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[3-benzoyl-4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxo-1-(tritylsulfanylmethyl)ethyl]carbamate CAS Name: N-[(2R)-1-[3-benzoyl-4-[[2-(4-chlorophenyl)-1-oxoethyl]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-(4-chlorophenyl)acetyl]amino]anilino]-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[3-benzoyl-4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-keto-1-[(tritylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C48H44ClN3O5S MolecularWeight: 810.39806

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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)CC5=CC=C(C=C5)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)CC5=CC=C(C=C5)Cl)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C48H44ClN3O5S/c1-47(2,3)57-46(56)52-42(32-58-48(35-18-10-5-11-19-35,36-20-12-6-13-21-36)37-22-14-7-15-23-37)45(55)50-39-28-29-41(40(31-39)44(54)34-16-8-4-9-17-34)51-43(53)30-33-24-26-38(49)27-25-33/h4-29,31,42H,30,32H2,1-3H3,(H,50,55)(H,51,53)(H,52,56)/t42-/m0/s1