3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-2-(tert-butoxycarbonylamino)-3-methyl-butanoic acid CAS Name: 3-(2,1,3-benzoxadiazol-5-ylmethylthio)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 3-(benzofurazan-5-ylmethylthio)-2-(tert-butoxycarbonylamino)-3-methyl-butyric acid Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC2=NON=C2C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC2=NON=C2C=C1

InChI

InChI=1S/C17H23N3O5S/c1-16(2,3)24-15(23)18-13(14(21)22)17(4,5)26-9-10-6-7-11-12(8-10)20-25-19-11/h6-8,13H,9H2,1-5H3,(H,18,23)(H,21,22)