3-(2-butylsulfanylethanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 3-(2-butylsulfanylethanoylamino)-3-phenyl-propanoic acid Openeye Name: 3-[(2-butylsulfanylacetyl)amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-(butylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(2-butylsulfanylacetyl)amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-(butylthio)acetyl]amino]-3-phenyl-propionic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC(CC(=O)O)C1=CC=CC=C1

Isomeric SMILES

CCCCSCC(=O)NC(CC(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-2-3-9-20-11-14(17)16-13(10-15(18)19)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)