3-methyl-2-(2-phenylsulfanylethanoylamino)pentanoic acid

Systemtic Name: 3-methyl-2-(2-phenylsulfanylethanoylamino)pentanoic acid Openeye Name: 3-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(phenylthio)acetyl]amino]valeric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-3-10(2)13(14(17)18)15-12(16)9-19-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,15,16)(H,17,18)