3-[2-(methylcarbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[2-(methylcarbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[2-(methylcarbamothioylamino)phenyl]propanoic acid CAS Name: 3-[2-[[methylamino(sulfanylidene)methyl]amino]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[2-(methylcarbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[2-(methylthiocarbamoylamino)phenyl]propionic acid Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1NC(=S)NC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1NC(=S)NC)C(=O)O

InChI

InChI=1S/C16H23N3O4S/c1-16(2,3)23-15(22)19-12(13(20)21)9-10-7-5-6-8-11(10)18-14(24)17-4/h5-8,12H,9H2,1-4H3,(H,19,22)(H,20,21)(H2,17,18,24)