3-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]butanoic acid

Systemtic Name: 3-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]butanoic acid Openeye Name: 3-[[3-acetamido-3-(2-thienyl)propanoyl]amino]butanoic acid CAS Name: 3-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)amino]butanoic acid IUPAC Name: 3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid Traditional Name: 3-[[3-acetamido-3-(2-thienyl)propanoyl]amino]butyric acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CC(C1=CC=CS1)NC(=O)C

Isomeric SMILES

CC(CC(=O)O)NC(=O)CC(C1=CC=CS1)NC(=O)C

InChI

InChI=1S/C13H18N2O4S/c1-8(6-13(18)19)14-12(17)7-10(15-9(2)16)11-4-3-5-20-11/h3-5,8,10H,6-7H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)