2-[[2-ethanoylsulfanylethyl(methyl)carbamoyl]amino]-3-phenyl-propanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(methyl)carbamoyl]amino]-3-phenyl-propanoate Openeye Name: 2-[[2-acetylsulfanylethyl(methyl)carbamoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-(acetylthio)ethyl-methylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[2-acetylsulfanylethyl(methyl)carbamoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(acetylthio)ethyl-methyl-carbamoyl]amino]-3-phenyl-propionate Formula: C15H19N2O4S- MolecularWeight: 323.38736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(C)C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(=O)SCCN(C)C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C15H20N2O4S/c1-11(18)22-9-8-17(2)15(21)16-13(14(19)20)10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,16,21)(H,19,20)/p-1