3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenethylsulfanyl-butanoate

Systemtic Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenethylsulfanyl-butanoate Openeye Name: 2-(tert-butoxycarbonylamino)-3-methyl-3-phenethylsulfanyl-butanoate CAS Name: 3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenethylthio)butanoate IUPAC Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenethylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-methyl-3-(phenethylthio)butyrate Formula: C18H26NO4S- MolecularWeight: 352.46834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)[O-])C(C)(C)SCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)[O-])C(C)(C)SCCC1=CC=CC=C1

InChI

InChI=1S/C18H27NO4S/c1-17(2,3)23-16(22)19-14(15(20)21)18(4,5)24-12-11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,19,22)(H,20,21)/p-1