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

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]propanoic acid Openeye Name: 2-[tert-butoxycarbonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]propanoic acid Traditional Name: 2-[tert-butoxycarbonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]propionic acid Formula: C16H23N3O8S MolecularWeight: 417.43412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O8S/c1-11(14(20)21)18(15(22)27-16(2,3)4)10-9-17-28(25,26)13-8-6-5-7-12(13)19(23)24/h5-8,11,17H,9-10H2,1-4H3,(H,20,21)