3-methyl-2-[3-(thiophen-2-ylcarbonylamino)propanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[3-(thiophen-2-ylcarbonylamino)propanoylamino]butanoic acid Openeye Name: 3-methyl-2-[3-(thiophene-2-carbonylamino)propanoylamino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[3-(thiophene-2-carbonylamino)propanoylamino]butanoic acid Traditional Name: 3-methyl-2-[3-(2-thenoylamino)propanoylamino]butyric acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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