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

Systemtic Name: 2-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)amino]-3-hydroxybutanoic acid IUPAC Name: 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-3-hydroxy-butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-7(16)12(13(19)20)15-11(18)6-9(14-8(2)17)10-4-3-5-21-10/h3-5,7,9,12,16H,6H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)