3-methyl-2-(2-pyridin-4-ylsulfanylethanoylamino)pentanoic acid

Systemtic Name: 3-methyl-2-(2-pyridin-4-ylsulfanylethanoylamino)pentanoic acid Openeye Name: 3-methyl-2-[[2-(4-pyridylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(4-pyridylthio)acetyl]amino]valeric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CSC1=CC=NC=C1

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSC1=CC=NC=C1

InChI

InChI=1S/C13H18N2O3S/c1-3-9(2)12(13(17)18)15-11(16)8-19-10-4-6-14-7-5-10/h4-7,9,12H,3,8H2,1-2H3,(H,15,16)(H,17,18)