(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfanylphenyl)propanoate

Systemtic Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfanylphenyl)propanoate Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-3-(4-methylsulfanylphenyl)propanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(methylthio)phenyl]propanoate IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfanylphenyl)propanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-3-[4-(methylthio)phenyl]propionate Formula: C15H20NO4S- MolecularWeight: 310.3886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(C=C1)SC

InChI

InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(9-13(17)18)10-5-7-11(21-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/p-1/t12-/m0/s1