2-acetamido-3-[4-oxidanyl-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-oxidanyl-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-hydroxy-3-[2-(2-thienylamino)propanoyl]phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-hydroxy-3-[1-oxo-2-(thiophen-2-ylamino)propyl]phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-hydroxy-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-hydroxy-3-[2-(2-thienylamino)propanoyl]phenyl]propionic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C)O)NC2=CC=CS2

Isomeric SMILES

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C)O)NC2=CC=CS2

InChI

InChI=1S/C18H20N2O5S/c1-10(19-16-4-3-7-26-16)17(23)13-8-12(5-6-15(13)22)9-14(18(24)25)20-11(2)21/h3-8,10,14,19,22H,9H2,1-2H3,(H,20,21)(H,24,25)