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

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 5-(1,3-benzothiazol-2-yl)-2-(tert-butoxycarbonylamino)pentanoic acid CAS Name: 5-(1,3-benzothiazol-2-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 5-(1,3-benzothiazol-2-yl)-2-(tert-butoxycarbonylamino)valeric acid Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C17H22N2O4S/c1-17(2,3)23-16(22)19-12(15(20)21)8-6-10-14-18-11-7-4-5-9-13(11)24-14/h4-5,7,9,12H,6,8,10H2,1-3H3,(H,19,22)(H,20,21)