tert-butyl (2R)-2-[[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2R)-2-[[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2R)-2-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: (2R)-2-[[4-[[[4-(methylthio)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: (2R)-2-[[4-[[4-(methylthio)benzoyl]amino]phenyl]sulfonylamino]-3-phenyl-propionic acid tert-butyl ester Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C27H30N2O5S2/c1-27(2,3)34-26(31)24(18-19-8-6-5-7-9-19)29-36(32,33)23-16-12-21(13-17-23)28-25(30)20-10-14-22(35-4)15-11-20/h5-17,24,29H,18H2,1-4H3,(H,28,30)/t24-/m1/s1