4-azanyl-4-oxidanylidene-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Traditional Name: 4-amino-4-keto-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butyric acid Formula: C9H13N5O4 MolecularWeight: 255.23062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)N)C(=O)O)N1C=NC=N1

Isomeric SMILES

CC(C(=O)NC(CC(=O)N)C(=O)O)N1C=NC=N1

InChI

InChI=1S/C9H13N5O4/c1-5(14-4-11-3-12-14)8(16)13-6(9(17)18)2-7(10)15/h3-6H,2H2,1H3,(H2,10,15)(H,13,16)(H,17,18)