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

Systemtic Name: tert-butyl 2-[[2-[(3-acetyloxycyclopentyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-[(3-acetoxycyclopentyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[(3-acetyloxycyclopentyl)thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(3-acetyloxycyclopentyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(3-acetoxycyclopentyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C31H43NO5S MolecularWeight: 541.74182

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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)CSC3CCC(C3)OC(=O)C

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSC3CCC(C3)OC(=O)C

InChI

InChI=1S/C31H43NO5S/c1-6-7-15-28(30(35)37-31(3,4)5)32-29(34)24(20-38-26-17-16-25(19-26)36-21(2)33)18-23-13-10-12-22-11-8-9-14-27(22)23/h8-14,24-26,28H,6-7,15-20H2,1-5H3,(H,32,34)