2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenethyl-3-phenylmethoxy-1,2-thiazol-5-yl)ethanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenethyl-3-phenylmethoxy-1,2-thiazol-5-yl)ethanoic acid Openeye Name: 2-(3-benzyloxy-4-phenethyl-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)acetic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-phenethyl-3-phenylmethoxy-5-isothiazolyl)acetic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenethyl-3-phenylmethoxy-1,2-thiazol-5-yl)acetic acid Traditional Name: 2-(3-benzoxy-4-phenethyl-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)acetic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=C(C(=NS1)OCC2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=C(C(=NS1)OCC2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H28N2O5S/c1-25(2,3)32-24(30)26-20(23(28)29)21-19(15-14-17-10-6-4-7-11-17)22(27-33-21)31-16-18-12-8-5-9-13-18/h4-13,20H,14-16H2,1-3H3,(H,26,30)(H,28,29)