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

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoic acid Openeye Name: 4-amino-2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-4-oxo-2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-amino-2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-keto-butyric acid Formula: C11H17N5O4S MolecularWeight: 315.34878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N5O4S/c1-6(2)16-5-13-15-11(16)21-4-9(18)14-7(10(19)20)3-8(12)17/h5-7H,3-4H2,1-2H3,(H2,12,17)(H,14,18)(H,19,20)