tert-butyl 2-[[2-[2,3-bis(oxidanyl)propylsulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-[2,3-bis(oxidanyl)propylsulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(2,3-dihydroxypropylsulfanylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[(2,3-dihydroxypropylthio)methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(2,3-dihydroxypropylsulfanylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[(glycerylthio)methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C27H39NO5S MolecularWeight: 489.66726

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO5S/c1-5-6-14-24(26(32)33-27(2,3)4)28-25(31)21(17-34-18-22(30)16-29)15-20-12-9-11-19-10-7-8-13-23(19)20/h7-13,21-22,24,29-30H,5-6,14-18H2,1-4H3,(H,28,31)