2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethyl-tert-butoxycarbonyl-amino]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-ylsulfonylamino)ethyl-tert-butoxycarbonyl-amino]acetic acid Formula: C16H21N3O6S2 MolecularWeight: 415.48444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCNS(=O)(=O)C1=NC2=CC=CC=C2S1)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CCNS(=O)(=O)C1=NC2=CC=CC=C2S1)CC(=O)O

InChI

InChI=1S/C16H21N3O6S2/c1-16(2,3)25-15(22)19(10-13(20)21)9-8-17-27(23,24)14-18-11-6-4-5-7-12(11)26-14/h4-7,17H,8-10H2,1-3H3,(H,20,21)