5-azanyl-5-oxidanylidene-2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]pentanoic acid Openeye Name: 5-amino-5-oxo-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid CAS Name: 5-amino-5-oxo-2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]amino]pentanoic acid IUPAC Name: 5-amino-5-oxo-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid Traditional Name: 5-amino-5-keto-2-[[2-(2-thenoylamino)acetyl]amino]valeric acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C12H15N3O5S/c13-9(16)4-3-7(12(19)20)15-10(17)6-14-11(18)8-2-1-5-21-8/h1-2,5,7H,3-4,6H2,(H2,13,16)(H,14,18)(H,15,17)(H,19,20)