3-oxidanyl-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoic acid Openeye Name: 3-hydroxy-2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid Formula: C11H18N4O4S MolecularWeight: 302.35002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C11H18N4O4S/c1-6(2)15-5-12-14-11(15)20-4-8(17)13-9(7(3)16)10(18)19/h5-7,9,16H,4H2,1-3H3,(H,13,17)(H,18,19)