3-[[6-[(2-methylphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-(phenylmethyl)carbamoyl]sulfanylpropanoic acid

Systemtic Name: 3-[[6-[(2-methylphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-(phenylmethyl)carbamoyl]sulfanylpropanoic acid Openeye Name: 3-[benzyl-[5-hydroxy-6-(o-tolylcarbamoyl)-1-naphthyl]carbamoyl]sulfanylpropanoic acid CAS Name: 3-[[[[5-hydroxy-6-[(2-methylanilino)-oxomethyl]-1-naphthalenyl]-(phenylmethyl)amino]-oxomethyl]thio]propanoic acid IUPAC Name: 3-[benzyl-[5-hydroxy-6-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]carbamoyl]sulfanylpropanoic acid Traditional Name: 3-[[benzyl-[5-hydroxy-6-(o-tolylcarbamoyl)-1-naphthyl]carbamoyl]thio]propionic acid Formula: C29H26N2O5S MolecularWeight: 514.59214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C3=C(C=C2)C(=CC=C3)N(CC4=CC=CC=C4)C(=O)SCCC(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C3=C(C=C2)C(=CC=C3)N(CC4=CC=CC=C4)C(=O)SCCC(=O)O)O

InChI

InChI=1S/C29H26N2O5S/c1-19-8-5-6-12-24(19)30-28(35)23-15-14-21-22(27(23)34)11-7-13-25(21)31(18-20-9-3-2-4-10-20)29(36)37-17-16-26(32)33/h2-15,34H,16-18H2,1H3,(H,30,35)(H,32,33)