2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]butanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]butanoate Openeye Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]butanoate CAS Name: 2-[[[2-(acetylthio)ethyl-phenethylamino]-oxomethyl]amino]butanoate IUPAC Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]butanoate Traditional Name: 2-[[2-(acetylthio)ethyl-phenethyl-carbamoyl]amino]butyrate Formula: C17H23N2O4S- MolecularWeight: 351.44052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-3-15(16(21)22)18-17(23)19(11-12-24-13(2)20)10-9-14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3,(H,18,23)(H,21,22)/p-1