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

Systemtic Name: 2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-valeric acid Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3S/c1-3-8(2)11(12(19)20)15-10(18)6-21-13-16-14-7-17(13)9-4-5-9/h7-9,11H,3-6H2,1-2H3,(H,15,18)(H,19,20)