3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-[(1-nosylprolyl)amino]propionic acid Formula: C19H26N4O9S MolecularWeight: 486.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O9S/c1-19(2,3)32-18(27)20-11-14(17(25)26)21-16(24)15-5-4-10-22(15)33(30,31)13-8-6-12(7-9-13)23(28)29/h6-9,14-15H,4-5,10-11H2,1-3H3,(H,20,27)(H,21,24)(H,25,26)