(phenylmethyl) 2-[[2-[(3-acetyloxy-2-oxidanyl-propyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: (phenylmethyl) 2-[[2-[(3-acetyloxy-2-oxidanyl-propyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: benzyl 2-[[2-[(3-acetoxy-2-hydroxy-propyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[(3-acetyloxy-2-hydroxypropyl)thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[(3-acetyloxy-2-hydroxypropyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(3-acetoxy-2-hydroxy-propyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid benzyl ester Formula: C32H39NO6S MolecularWeight: 565.72016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CSCC(COC(=O)C)O

Isomeric SMILES

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CSCC(COC(=O)C)O

InChI

InChI=1S/C32H39NO6S/c1-3-4-17-30(32(37)39-19-24-11-6-5-7-12-24)33-31(36)27(21-40-22-28(35)20-38-23(2)34)18-26-15-10-14-25-13-8-9-16-29(25)26/h5-16,27-28,30,35H,3-4,17-22H2,1-2H3,(H,33,36)