3-methyl-2-[2-[2-(1,2-oxazol-5-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[2-(1,2-oxazol-5-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]butanoic acid Openeye Name: 2-[[2-[2-(isoxazole-5-carbonylamino)thiazol-4-yl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[2-[[5-isoxazolyl(oxo)methyl]amino]-4-thiazolyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 3-methyl-2-[[2-[2-(1,2-oxazole-5-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid Traditional Name: 2-[[2-[2-(isoxazole-5-carbonylamino)thiazol-4-yl]acetyl]amino]-3-methyl-butyric acid Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)C2=CC=NO2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)C2=CC=NO2

InChI

InChI=1S/C14H16N4O5S/c1-7(2)11(13(21)22)17-10(19)5-8-6-24-14(16-8)18-12(20)9-3-4-15-23-9/h3-4,6-7,11H,5H2,1-2H3,(H,17,19)(H,21,22)(H,16,18,20)