4-azanyl-4-oxidanylidene-2-[2-(thiophen-2-ylcarbonylamino)propanoylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[2-(thiophen-2-ylcarbonylamino)propanoylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid Traditional Name: 4-amino-4-keto-2-[2-(2-thenoylamino)propanoylamino]butyric acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5S/c1-6(14-11(18)8-3-2-4-21-8)10(17)15-7(12(19)20)5-9(13)16/h2-4,6-7H,5H2,1H3,(H2,13,16)(H,14,18)(H,15,17)(H,19,20)