4-[(4-methyl-2-nitro-phenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-[(4-methyl-2-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 4-[(4-methyl-2-nitrophenyl)sulfonylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(4-methyl-2-nitrophenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-[(4-methyl-2-nitro-phenyl)sulfonylamino]butyric acid Formula: C16H23N3O8S MolecularWeight: 417.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(C(=O)O)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(C(=O)O)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

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