3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-[(2-nitrophenyl)sulfonylamino]propionic acid Formula: C14H19N3O8S MolecularWeight: 389.38096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O8S/c1-14(2,3)25-13(20)15-8-9(12(18)19)16-26(23,24)11-7-5-4-6-10(11)17(21)22/h4-7,9,16H,8H2,1-3H3,(H,15,20)(H,18,19)