2-[[2-ethanoylsulfanylethyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid Openeye Name: 2-[[2-acetylsulfanylethyl-[2-(4-pyridyl)ethyl]carbamoyl]amino]propanoic acid CAS Name: 2-[[[2-(acetylthio)ethyl-(2-pyridin-4-ylethyl)amino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-acetylsulfanylethyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid Traditional Name: 2-[[2-(acetylthio)ethyl-[2-(4-pyridyl)ethyl]carbamoyl]amino]propionic acid Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N(CCC1=CC=NC=C1)CCSC(=O)C

Isomeric SMILES

CC(C(=O)O)NC(=O)N(CCC1=CC=NC=C1)CCSC(=O)C

InChI

InChI=1S/C15H21N3O4S/c1-11(14(20)21)17-15(22)18(9-10-23-12(2)19)8-5-13-3-6-16-7-4-13/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,22)(H,20,21)