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

Systemtic Name: tert-butyl 2-[[2-[(3-acetyloxy-2-oxidanyl-propyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C29H41NO6S MolecularWeight: 531.70394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSCC(COC(=O)C)O

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSCC(COC(=O)C)O

InChI

InChI=1S/C29H41NO6S/c1-6-7-15-26(28(34)36-29(3,4)5)30-27(33)23(18-37-19-24(32)17-35-20(2)31)16-22-13-10-12-21-11-8-9-14-25(21)22/h8-14,23-24,26,32H,6-7,15-19H2,1-5H3,(H,30,33)