(3S)-3-(2-chloranyl-5-nitro-phenyl)-3-(2-phenylsulfanylethanoylamino)propanoic acid

Systemtic Name: (3S)-3-(2-chloranyl-5-nitro-phenyl)-3-(2-phenylsulfanylethanoylamino)propanoic acid Openeye Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-[(2-phenylsulfanylacetyl)amino]propanoic acid CAS Name: (3S)-3-(2-chloro-5-nitrophenyl)-3-[[1-oxo-2-(phenylthio)ethyl]amino]propanoic acid IUPAC Name: (3S)-3-(2-chloro-5-nitrophenyl)-3-[(2-phenylsulfanylacetyl)amino]propanoic acid Traditional Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-[[2-(phenylthio)acetyl]amino]propionic acid Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)N[C@@H](CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN2O5S/c18-14-7-6-11(20(24)25)8-13(14)15(9-17(22)23)19-16(21)10-26-12-4-2-1-3-5-12/h1-8,15H,9-10H2,(H,19,21)(H,22,23)/t15-/m0/s1