2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methyl-butanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methyl-butanoate Openeye Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methyl-butanoate CAS Name: 2-[[[2-(acetylthio)ethyl-phenethylamino]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-(acetylthio)ethyl-phenethyl-carbamoyl]amino]-3-methyl-butyrate Formula: C18H25N2O4S- MolecularWeight: 365.4671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-13(2)16(17(22)23)19-18(24)20(11-12-25-14(3)21)10-9-15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3,(H,19,24)(H,22,23)/p-1