2-[[3-(4-chlorophenyl)propyl-(2-ethanoylsulfanylethyl)carbamoyl]amino]propanoic acid

Systemtic Name: 2-[[3-(4-chlorophenyl)propyl-(2-ethanoylsulfanylethyl)carbamoyl]amino]propanoic acid Openeye Name: 2-[[2-acetylsulfanylethyl-[3-(4-chlorophenyl)propyl]carbamoyl]amino]propanoic acid CAS Name: 2-[[[2-(acetylthio)ethyl-[3-(4-chlorophenyl)propyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-acetylsulfanylethyl-[3-(4-chlorophenyl)propyl]carbamoyl]amino]propanoic acid Traditional Name: 2-[[2-(acetylthio)ethyl-[3-(4-chlorophenyl)propyl]carbamoyl]amino]propionic acid Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N(CCCC1=CC=C(C=C1)Cl)CCSC(=O)C

Isomeric SMILES

CC(C(=O)O)NC(=O)N(CCCC1=CC=C(C=C1)Cl)CCSC(=O)C

InChI

InChI=1S/C17H23ClN2O4S/c1-12(16(22)23)19-17(24)20(10-11-25-13(2)21)9-3-4-14-5-7-15(18)8-6-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,24)(H,22,23)