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

Systemtic Name: 2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-hydroxy-butyric acid Formula: C11H16N4O4S MolecularWeight: 300.33414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CSC1=NN=CN1C2CC2)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CSC1=NN=CN1C2CC2)O

InChI

InChI=1S/C11H16N4O4S/c1-6(16)9(10(18)19)13-8(17)4-20-11-14-12-5-15(11)7-2-3-7/h5-7,9,16H,2-4H2,1H3,(H,13,17)(H,18,19)