2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[tert-butoxycarbonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]-2-phenylacetic acid Traditional Name: 2-[tert-butoxycarbonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]-2-phenyl-acetic acid Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H25N3O8S/c1-21(2,3)32-20(27)23(18(19(25)26)15-9-5-4-6-10-15)14-13-22-33(30,31)17-12-8-7-11-16(17)24(28)29/h4-12,18,22H,13-14H2,1-3H3,(H,25,26)