2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-hydroxyethyl(phenethyl)amino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-4-(methylthio)butyrate Formula: C16H23N2O4S- MolecularWeight: 339.42982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4S/c1-23-12-8-14(15(20)21)17-16(22)18(10-11-19)9-7-13-5-3-2-4-6-13/h2-6,14,19H,7-12H2,1H3,(H,17,22)(H,20,21)/p-1