6-naphthalen-2-yl-2-(2-naphthalen-2-ylethyl)-4-[[1-oxidanyl-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamoyl]hexanoic acid

Systemtic Name: 6-naphthalen-2-yl-2-(2-naphthalen-2-ylethyl)-4-[[1-oxidanyl-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamoyl]hexanoic acid Openeye Name: 4-[[1-(benzylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]carbamoyl]-6-(2-naphthyl)-2-[2-(2-naphthyl)ethyl]hexanoic acid CAS Name: 4-[[[1-hydroxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-oxomethyl]-6-(2-naphthalenyl)-2-[2-(2-naphthalenyl)ethyl]hexanoic acid IUPAC Name: 4-[(3-benzylsulfanyl-1-hydroxy-1-oxopropan-2-yl)carbamoyl]-6-naphthalen-2-yl-2-(2-naphthalen-2-ylethyl)hexanoic acid Traditional Name: 4-[[1-[(benzylthio)methyl]-2-hydroxy-2-keto-ethyl]carbamoyl]-6-(2-naphthyl)-2-[2-(2-naphthyl)ethyl]hexanoic acid Formula: C39H39NO5S MolecularWeight: 633.79566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(CCC2=CC3=CC=CC=C3C=C2)CC(CCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(CCC2=CC3=CC=CC=C3C=C2)CC(CCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C39H39NO5S/c41-37(40-36(39(44)45)26-46-25-29-8-2-1-3-9-29)34(20-16-27-14-18-30-10-4-6-12-32(30)22-27)24-35(38(42)43)21-17-28-15-19-31-11-5-7-13-33(31)23-28/h1-15,18-19,22-23,34-36H,16-17,20-21,24-26H2,(H,40,41)(H,42,43)(H,44,45)