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

Systemtic Name: 2-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)amino]-3-methylbutanoic acid IUPAC Name: 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-3-methyl-butyric acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-8(2)13(14(19)20)16-12(18)7-10(15-9(3)17)11-5-4-6-21-11/h4-6,8,10,13H,7H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)