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

Systemtic Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-(3-oxidanylcyclopentyl)sulfanyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-[(3-hydroxycyclopentyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[(3-hydroxycyclopentyl)thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(3-hydroxycyclopentyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(3-hydroxycyclopentyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C29H41NO4S MolecularWeight: 499.70514

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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(C3)O

Isomeric SMILES

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

InChI

InChI=1S/C29H41NO4S/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/h7-13,22-24,26,31H,5-6,14-19H2,1-4H3,(H,30,32)