2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-naphthalen-2-ylsulfonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-naphthalen-2-ylsulfonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-tert-butoxy-2-oxo-ethyl)-(2-naphthylsulfonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2-naphthalenylsulfonyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-naphthalen-2-ylsulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(2-tert-butoxy-2-keto-ethyl)-(2-naphthylsulfonyl)amino]-3-phenyl-propionic acid Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C(CC1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C(CC1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H27NO6S/c1-25(2,3)32-23(27)17-26(22(24(28)29)15-18-9-5-4-6-10-18)33(30,31)21-14-13-19-11-7-8-12-20(19)16-21/h4-14,16,22H,15,17H2,1-3H3,(H,28,29)