2-[(4-methylphenyl)methylsulfanylmethyl]-3-naphthalen-1-yl-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-3-naphthalen-1-yl-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 2-(1-naphthylmethyl)-3-(p-tolylmethylsulfanyl)-2-(3-sulfanylpropanoylamino)propanoic acid CAS Name: 2-[(3-mercapto-1-oxopropyl)amino]-2-[[(4-methylphenyl)methylthio]methyl]-3-(1-naphthalenyl)propanoic acid IUPAC Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-3-naphthalen-1-yl-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 2-(3-mercaptopropanoylamino)-2-[[(4-methylbenzyl)thio]methyl]-3-(1-naphthyl)propionic acid Formula: C25H27NO3S2 MolecularWeight: 453.61678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(CC2=CC=CC3=CC=CC=C32)(C(=O)O)NC(=O)CCS

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(CC2=CC=CC3=CC=CC=C32)(C(=O)O)NC(=O)CCS

InChI

InChI=1S/C25H27NO3S2/c1-18-9-11-19(12-10-18)16-31-17-25(24(28)29,26-23(27)13-14-30)15-21-7-4-6-20-5-2-3-8-22(20)21/h2-12,30H,13-17H2,1H3,(H,26,27)(H,28,29)