3-(tert-butylcarbamoylamino)-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(tert-butylcarbamoylamino)-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(tert-butylcarbamoylamino)-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[(tert-butylamino)-oxomethyl]amino]-2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(tert-butylcarbamoylamino)-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(tert-butylcarbamoylamino)-2-[(1-nosylprolyl)amino]propionic acid Formula: C19H27N5O8S MolecularWeight: 485.51138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O8S/c1-19(2,3)22-18(28)20-11-14(17(26)27)21-16(25)15-5-4-10-23(15)33(31,32)13-8-6-12(7-9-13)24(29)30/h6-9,14-15H,4-5,10-11H2,1-3H3,(H,21,25)(H,26,27)(H2,20,22,28)