tert-butyl 2-[[2-[2-(2,2-dimethylpropanoyloxy)ethylsulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-[2-(2,2-dimethylpropanoyloxy)ethylsulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-[2-(2,2-dimethylpropanoyloxy)ethylsulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[2-(2,2-dimethyl-1-oxopropoxy)ethylthio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[2-(2,2-dimethylpropanoyloxy)ethylsulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-(1-naphthylmethyl)-3-(2-pivaloyloxyethylthio)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C31H45NO5S MolecularWeight: 543.7577

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO5S/c1-8-9-17-26(28(34)37-31(5,6)7)32-27(33)24(21-38-19-18-36-29(35)30(2,3)4)20-23-15-12-14-22-13-10-11-16-25(22)23/h10-16,24,26H,8-9,17-21H2,1-7H3,(H,32,33)