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

Systemtic Name: tert-butyl 2-[[2-[(3-methoxy-2-oxidanyl-propyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-[(2-hydroxy-3-methoxy-propyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[(2-hydroxy-3-methoxypropyl)thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(2-hydroxy-3-methoxypropyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(2-hydroxy-3-methoxy-propyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C28H41NO5S MolecularWeight: 503.69384

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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(COC)O

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO5S/c1-6-7-15-25(27(32)34-28(2,3)4)29-26(31)22(18-35-19-23(30)17-33-5)16-21-13-10-12-20-11-8-9-14-24(20)21/h8-14,22-23,25,30H,6-7,15-19H2,1-5H3,(H,29,31)