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

Systemtic Name: 2-benzamido-3-[3-[2-(thiophen-2-ylamino)propanoyl]phenyl]propanoic acid Openeye Name: 2-benzamido-3-[3-[2-(2-thienylamino)propanoyl]phenyl]propanoic acid CAS Name: 2-benzamido-3-[3-[1-oxo-2-(thiophen-2-ylamino)propyl]phenyl]propanoic acid IUPAC Name: 2-benzamido-3-[3-[2-(thiophen-2-ylamino)propanoyl]phenyl]propanoic acid Traditional Name: 2-benzamido-3-[3-[2-(2-thienylamino)propanoyl]phenyl]propionic acid Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S/c1-15(24-20-11-6-12-30-20)21(26)18-10-5-7-16(13-18)14-19(23(28)29)25-22(27)17-8-3-2-4-9-17/h2-13,15,19,24H,14H2,1H3,(H,25,27)(H,28,29)