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

Systemtic Name: 2-benzamido-3-[4-oxidanyl-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]propanoic acid Openeye Name: 2-benzamido-3-[4-hydroxy-3-[2-(2-thienylamino)propanoyl]phenyl]propanoic acid CAS Name: 2-benzamido-3-[4-hydroxy-3-[1-oxo-2-(thiophen-2-ylamino)propyl]phenyl]propanoic acid IUPAC Name: 2-benzamido-3-[4-hydroxy-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]propanoic acid Traditional Name: 2-benzamido-3-[4-hydroxy-3-[2-(2-thienylamino)propanoyl]phenyl]propionic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2)O)NC3=CC=CS3

Isomeric SMILES

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2)O)NC3=CC=CS3

InChI

InChI=1S/C23H22N2O5S/c1-14(24-20-8-5-11-31-20)21(27)17-12-15(9-10-19(17)26)13-18(23(29)30)25-22(28)16-6-3-2-4-7-16/h2-12,14,18,24,26H,13H2,1H3,(H,25,28)(H,29,30)