2-(2-tert-butylsulfanylethanoylamino)-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-(2-tert-butylsulfanylethanoylamino)-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(2-tert-butylsulfanylacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-(tert-butylthio)-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(2-tert-butylsulfanylacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-(tert-butylthio)acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

CC(C)(C)SCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-15(2,3)21-9-13(18)16-12(14(19)20)8-10-4-6-11(17)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)(H,19,20)