4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid

Systemtic Name: 4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid Openeye Name: 4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid Traditional Name: 4-methyl-2-[3-(phenylthio)propanoylamino]valeric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-11(2)10-13(15(18)19)16-14(17)8-9-20-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)