2-[(4-ethanoylsulfanyl-1-pyridin-2-yl-butan-2-yl)carbamoylamino]propanoic acid

Systemtic Name: 2-[(4-ethanoylsulfanyl-1-pyridin-2-yl-butan-2-yl)carbamoylamino]propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-1-(2-pyridylmethyl)propyl]carbamoylamino]propanoic acid CAS Name: 2-[[[[4-(acetylthio)-1-(2-pyridinyl)butan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(4-acetylsulfanyl-1-pyridin-2-ylbutan-2-yl)carbamoylamino]propanoic acid Traditional Name: 2-[[3-(acetylthio)-1-(2-pyridylmethyl)propyl]carbamoylamino]propionic acid Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)NC(CCSC(=O)C)CC1=CC=CC=N1

Isomeric SMILES

CC(C(=O)O)NC(=O)NC(CCSC(=O)C)CC1=CC=CC=N1

InChI

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