2-azanyl-3-[3-oxidanylidene-5-(2-propan-2-yl-1,2,3,4-tetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-oxidanylidene-5-(2-propan-2-yl-1,2,3,4-tetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[5-(2-isopropyltetrazol-5-yl)-3-oxo-isoxazol-4-yl]propanoic acid CAS Name: 2-amino-3-[3-oxo-5-(2-propan-2-yl-5-tetrazolyl)-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-[3-oxo-5-(2-propan-2-yltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[5-(2-isopropyltetrazol-5-yl)-3-keto-4-isoxazolin-4-yl]propionic acid Formula: C10H14N6O4 MolecularWeight: 282.25596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1N=C(N=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

Isomeric SMILES

CC(C)N1N=C(N=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

InChI

InChI=1S/C10H14N6O4/c1-4(2)16-13-8(12-15-16)7-5(9(17)14-20-7)3-6(11)10(18)19/h4,6H,3,11H2,1-2H3,(H,14,17)(H,18,19)