2-[[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[3-(tert-butoxycarbonylamino)-4-methoxy-phenyl]sulfonyl-amino]acetic acid CAS Name: 2-[[4-methoxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]sulfonyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[benzyl-[3-(tert-butoxycarbonylamino)-4-methoxy-phenyl]sulfonyl-amino]acetic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S/c1-21(2,3)30-20(26)22-17-12-16(10-11-18(17)29-4)31(27,28)23(14-19(24)25)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3,(H,22,26)(H,24,25)