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

Systemtic Name: 4-[(3-acetamido-3-thiophen-2-yl-propanoyl)-methyl-amino]butanoic acid Openeye Name: 4-[[3-acetamido-3-(2-thienyl)propanoyl]-methyl-amino]butanoic acid CAS Name: 4-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)-methylamino]butanoic acid IUPAC Name: 4-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]butanoic acid Traditional Name: 4-[[3-acetamido-3-(2-thienyl)propanoyl]-methyl-amino]butyric acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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