2-[2-(4-nitrophenyl)sulfanylethanoylamino]pentanoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)sulfanylethanoylamino]pentanoic acid Openeye Name: 2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]pentanoic acid CAS Name: 2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]pentanoic acid Traditional Name: 2-[[2-[(4-nitrophenyl)thio]acetyl]amino]valeric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-2-3-11(13(17)18)14-12(16)8-21-10-6-4-9(5-7-10)15(19)20/h4-7,11H,2-3,8H2,1H3,(H,14,16)(H,17,18)