2-[[2-ethanoylsulfanylethyl(phenyl)carbamoyl]amino]propanoic acid

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(phenyl)carbamoyl]amino]propanoic acid Openeye Name: 2-[[2-acetylsulfanylethyl(phenyl)carbamoyl]amino]propanoic acid CAS Name: 2-[[[N-[2-(acetylthio)ethyl]anilino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-acetylsulfanylethyl(phenyl)carbamoyl]amino]propanoic acid Traditional Name: 2-[[2-(acetylthio)ethyl-phenyl-carbamoyl]amino]propionic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-10(13(18)19)15-14(20)16(8-9-21-11(2)17)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,20)(H,18,19)