4-azanyl-4-oxidanylidene-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[3-(thiophene-3-carbonylamino)propanoylamino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[3-(thiophene-3-carbonylamino)propanoylamino]butanoic acid Traditional Name: 4-amino-4-keto-2-[3-(3-thenoylamino)propanoylamino]butyric acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(=O)NCCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CSC=C1C(=O)NCCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H15N3O5S/c13-9(16)5-8(12(19)20)15-10(17)1-3-14-11(18)7-2-4-21-6-7/h2,4,6,8H,1,3,5H2,(H2,13,16)(H,14,18)(H,15,17)(H,19,20)