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

Systemtic Name: 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid Openeye Name: 3-[3-(tert-butoxycarbonylamino)propanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid CAS Name: 3-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[3-(tert-butoxycarbonylamino)propanoylamino]-2-[(2-nitrophenyl)sulfonylamino]propionic acid Formula: C17H24N4O9S MolecularWeight: 460.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O9S/c1-17(2,3)30-16(25)18-9-8-14(22)19-10-11(15(23)24)20-31(28,29)13-7-5-4-6-12(13)21(26)27/h4-7,11,20H,8-10H2,1-3H3,(H,18,25)(H,19,22)(H,23,24)