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

Systemtic Name: tert-butyl 2-[[2-(2-acetyloxyethylsulfanylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(2-acetoxyethylsulfanylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[(2-acetyloxyethylthio)methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(2-acetyloxyethylsulfanylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[(2-acetoxyethylthio)methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C28H39NO5S MolecularWeight: 501.67796

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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)CSCCOC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO5S/c1-6-7-15-25(27(32)34-28(3,4)5)29-26(31)23(19-35-17-16-33-20(2)30)18-22-13-10-12-21-11-8-9-14-24(21)22/h8-14,23,25H,6-7,15-19H2,1-5H3,(H,29,31)