2-azanyl-2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propanoic acid; ethanoic acid

Systemtic Name: 2-azanyl-2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propanoic acid; ethanoic acid Openeye Name: acetic acid; 2-amino-3-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-2-methyl-propanoic acid CAS Name: acetic acid; 2-amino-2-methyl-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]propanoic acid IUPAC Name: acetic acid; 2-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propanoic acid Traditional Name: acetic acid; 2-amino-3-[2-(tert-butoxycarbonylamino)ethylthio]-2-methyl-propionic acid Formula: C13H26N2O6S MolecularWeight: 338.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(C)OC(=O)NCCSCC(C)(C(=O)O)N

Isomeric SMILES

CC(=O)O.CC(C)(C)OC(=O)NCCSCC(C)(C(=O)O)N

InChI

InChI=1S/C11H22N2O4S.C2H4O2/c1-10(2,3)17-9(16)13-5-6-18-7-11(4,12)8(14)15;1-2(3)4/h5-7,12H2,1-4H3,(H,13,16)(H,14,15);1H3,(H,3,4)