2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5S/c1-9(8-22-10(2)17)14(19)16-13(15(20)21)7-11-3-5-12(18)6-4-11/h3-6,9,13,18H,7-8H2,1-2H3,(H,16,19)(H,20,21)