5-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5-oxo-pentanoic acid CAS Name: 5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5-keto-valeric acid Formula: C17H20FN3O5S MolecularWeight: 397.421203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC1=NC2=C(S1)C=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)NC1=NC2=C(S1)C=C(C=C2)F)C(=O)O

InChI

InChI=1S/C17H20FN3O5S/c1-17(2,3)26-16(25)20-11(14(23)24)6-7-13(22)21-15-19-10-5-4-9(18)8-12(10)27-15/h4-5,8,11H,6-7H2,1-3H3,(H,20,25)(H,23,24)(H,19,21,22)