4-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]butanoic acid

Systemtic Name: 4-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]butanoic acid Openeye Name: 4-[[3-acetamido-3-(2-thienyl)propanoyl]amino]butanoic acid CAS Name: 4-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)amino]butanoic acid IUPAC Name: 4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid Traditional Name: 4-[[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(=O)NC(CC(=O)NCCCC(=O)O)C1=CC=CS1

Isomeric SMILES

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

InChI

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