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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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