2-[(4-methylphenyl)methylsulfanylmethyl]-3-(4-phenylphenyl)-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-3-(4-phenylphenyl)-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 2-[(4-phenylphenyl)methyl]-3-(p-tolylmethylsulfanyl)-2-(3-sulfanylpropanoylamino)propanoic acid CAS Name: 2-[(3-mercapto-1-oxopropyl)amino]-2-[[(4-methylphenyl)methylthio]methyl]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-3-(4-phenylphenyl)-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 2-(3-mercaptopropanoylamino)-2-[[(4-methylbenzyl)thio]methyl]-3-(4-phenylphenyl)propionic acid Formula: C27H29NO3S2 MolecularWeight: 479.65406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(CC2=CC=C(C=C2)C3=CC=CC=C3)(C(=O)O)NC(=O)CCS

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(CC2=CC=C(C=C2)C3=CC=CC=C3)(C(=O)O)NC(=O)CCS

InChI

InChI=1S/C27H29NO3S2/c1-20-7-9-22(10-8-20)18-33-19-27(26(30)31,28-25(29)15-16-32)17-21-11-13-24(14-12-21)23-5-3-2-4-6-23/h2-14,32H,15-19H2,1H3,(H,28,29)(H,30,31)