2-[[2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[[3-phenyl-2-(p-tolylmethylsulfanylcarbonylamino)propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[[(4-methylphenyl)methylthio]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[(4-methylbenzyl)thio]carbonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H28N2O4S/c1-19-12-14-22(15-13-19)18-34-27(33)29-23(16-20-8-4-2-5-9-20)25(30)28-24(26(31)32)17-21-10-6-3-7-11-21/h2-15,23-24H,16-18H2,1H3,(H,28,30)(H,29,33)(H,31,32)