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

Systemtic Name: tert-butyl 2-[[2-[(2-ethoxy-3-oxidanyl-propyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-[(2-ethoxy-3-hydroxy-propyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[(2-ethoxy-3-hydroxypropyl)thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(2-ethoxy-3-hydroxypropyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(2-ethoxy-3-hydroxy-propyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C29H43NO5S MolecularWeight: 517.72042

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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(CO)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H43NO5S/c1-6-8-16-26(28(33)35-29(3,4)5)30-27(32)23(19-36-20-24(18-31)34-7-2)17-22-14-11-13-21-12-9-10-15-25(21)22/h9-15,23-24,26,31H,6-8,16-20H2,1-5H3,(H,30,32)