2-[[2-ethanoylsulfanylethyl-[2-(4-nitrophenyl)ethyl]carbamoyl]amino]propanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl-[2-(4-nitrophenyl)ethyl]carbamoyl]amino]propanoate Openeye Name: 2-[[2-acetylsulfanylethyl-[2-(4-nitrophenyl)ethyl]carbamoyl]amino]propanoate CAS Name: 2-[[[2-(acetylthio)ethyl-[2-(4-nitrophenyl)ethyl]amino]-oxomethyl]amino]propanoate IUPAC Name: 2-[[2-acetylsulfanylethyl-[2-(4-nitrophenyl)ethyl]carbamoyl]amino]propanoate Traditional Name: 2-[[2-(acetylthio)ethyl-[2-(4-nitrophenyl)ethyl]carbamoyl]amino]propionate Formula: C16H20N3O6S- MolecularWeight: 382.4115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)N(CCC1=CC=C(C=C1)[N+](=O)[O-])CCSC(=O)C

Isomeric SMILES

CC(C(=O)[O-])NC(=O)N(CCC1=CC=C(C=C1)[N+](=O)[O-])CCSC(=O)C

InChI

InChI=1S/C16H21N3O6S/c1-11(15(21)22)17-16(23)18(9-10-26-12(2)20)8-7-13-3-5-14(6-4-13)19(24)25/h3-6,11H,7-10H2,1-2H3,(H,17,23)(H,21,22)/p-1