3-methyl-2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(2-thenoylamino)acetyl]amino]valeric acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CNC(=O)C1=CC=CS1

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CNC(=O)C1=CC=CS1

InChI

InChI=1S/C13H18N2O4S/c1-3-8(2)11(13(18)19)15-10(16)7-14-12(17)9-5-4-6-20-9/h4-6,8,11H,3,7H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)