(phenylmethyl) 5-[[1-(2,4-dinitrophenyl)sulfanylpyrrolidin-2-yl]carbonylamino]pentanoate

Systemtic Name: (phenylmethyl) 5-[[1-(2,4-dinitrophenyl)sulfanylpyrrolidin-2-yl]carbonylamino]pentanoate Openeye Name: benzyl 5-[[1-(2,4-dinitrophenyl)sulfanylpyrrolidine-2-carbonyl]amino]pentanoate CAS Name: 5-[[[1-[(2,4-dinitrophenyl)thio]-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[1-(2,4-dinitrophenyl)sulfanylpyrrolidine-2-carbonyl]amino]pentanoate Traditional Name: 5-[[1-[(2,4-dinitrophenyl)thio]prolyl]amino]valeric acid benzyl ester Formula: C23H26N4O7S MolecularWeight: 502.54014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O7S/c28-22(34-16-17-7-2-1-3-8-17)10-4-5-13-24-23(29)19-9-6-14-25(19)35-21-12-11-18(26(30)31)15-20(21)27(32)33/h1-3,7-8,11-12,15,19H,4-6,9-10,13-14,16H2,(H,24,29)