3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenylsulfanylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenylsulfanylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenylsulfanylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-[(phenylthio)methyl]phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-(phenylsulfanylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-[(phenylthio)methyl]phenyl]propionic acid Formula: C28H31NO3S MolecularWeight: 461.61564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)CSC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)CSC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C28H31NO3S/c1-20(2)17-26(23-9-5-3-6-10-23)29-28(32)25-18-21(13-14-22(25)15-16-27(30)31)19-33-24-11-7-4-8-12-24/h3-14,18,20,26H,15-17,19H2,1-2H3,(H,29,32)(H,30,31)