5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-3-phenyl-propyl]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-3-phenyl-propyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[2-(tert-butoxycarbonylamino)-1-hydroxy-3-phenyl-propyl]isothiazole-4-carboxylic acid CAS Name: 5-[1-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]-4-isothiazolecarboxylic acid IUPAC Name: 5-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[2-(tert-butoxycarbonylamino)-1-hydroxy-3-phenyl-propyl]isothiazole-4-carboxylic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C2=C(C=NS2)C(=O)O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C2=C(C=NS2)C(=O)O)O

InChI

InChI=1S/C18H22N2O5S/c1-18(2,3)25-17(24)20-13(9-11-7-5-4-6-8-11)14(21)15-12(16(22)23)10-19-26-15/h4-8,10,13-14,21H,9H2,1-3H3,(H,20,24)(H,22,23)