tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-(3-oxidanylidenecyclopentyl)sulfanyl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-(3-oxidanylidenecyclopentyl)sulfanyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(1-naphthylmethyl)-3-(3-oxocyclopentyl)sulfanyl-propanoyl]amino]hexanoate CAS Name: 2-[[2-(1-naphthalenylmethyl)-1-oxo-3-[(3-oxocyclopentyl)thio]propyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-(3-oxocyclopentyl)sulfanylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(3-ketocyclopentyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C29H39NO4S MolecularWeight: 497.68926

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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(=O)C3

Isomeric SMILES

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

InChI

InChI=1S/C29H39NO4S/c1-5-6-14-26(28(33)34-29(2,3)4)30-27(32)22(19-35-24-16-15-23(31)18-24)17-21-12-9-11-20-10-7-8-13-25(20)21/h7-13,22,24,26H,5-6,14-19H2,1-4H3,(H,30,32)