2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[3-(tert-butoxycarbonylamino)phenyl]sulfonyl-amino]acetic acid CAS Name: 2-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]sulfonyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[benzyl-[3-(tert-butoxycarbonylamino)phenyl]sulfonyl-amino]acetic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C20H24N2O6S/c1-20(2,3)28-19(25)21-16-10-7-11-17(12-16)29(26,27)22(14-18(23)24)13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,21,25)(H,23,24)