3-[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxidanylidene-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 3-[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]thio]propanoic acid IUPAC Name: 3-[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[2-acetamido-3-[2-(4-hydroxyphenyl)ethylamino]-3-keto-propyl]thio]propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCCC(=O)O)C(=O)NCCC1=CC=C(C=C1)O

Isomeric SMILES

CC(=O)NC(CSCCC(=O)O)C(=O)NCCC1=CC=C(C=C1)O

InChI

InChI=1S/C16H22N2O5S/c1-11(19)18-14(10-24-9-7-15(21)22)16(23)17-8-6-12-2-4-13(20)5-3-12/h2-5,14,20H,6-10H2,1H3,(H,17,23)(H,18,19)(H,21,22)