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

Systemtic Name: tert-butyl 2-[[2-(tert-butylsulfanylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(tert-butylsulfanylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[(tert-butylthio)methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(tert-butylsulfanylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[(tert-butylthio)methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C28H41NO3S MolecularWeight: 471.69504

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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)CSC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3S/c1-8-9-17-24(26(31)32-27(2,3)4)29-25(30)22(19-33-28(5,6)7)18-21-15-12-14-20-13-10-11-16-23(20)21/h10-16,22,24H,8-9,17-19H2,1-7H3,(H,29,30)