3-oxidanyl-2-[4-(thiophen-2-ylcarbonylamino)butanoylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[4-(thiophen-2-ylcarbonylamino)butanoylamino]butanoic acid Openeye Name: 3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid Traditional Name: 3-hydroxy-2-[4-(2-thenoylamino)butanoylamino]butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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