3-(2-azanylbutanoylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(2-azanylbutanoylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(2-aminobutanoylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-[(2-amino-1-oxobutyl)amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(2-aminobutanoylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(2-aminobutanoylamino)-3-(2-thienyl)propionic acid Formula: C11H16N2O3S MolecularWeight: 256.32134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O3S/c1-2-7(12)11(16)13-8(6-10(14)15)9-4-3-5-17-9/h3-5,7-8H,2,6,12H2,1H3,(H,13,16)(H,14,15)