2-azanyl-4-methyl-pentanoic acid; boric acid; 3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; boric acid; 3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; boric acid; 3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid CAS Name: 2-amino-4-methylpentanoic acid; boric acid; 2-[[oxo(2-pyrazinyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; boric acid; 3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; boric acid; 3-phenyl-2-(pyrazinoylamino)propionic acid Formula: C20H29BN4O8 MolecularWeight: 464.27726

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Descriptors Computed from Structure

Canonical SMILES:

B(O)(O)O.CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=NC=CN=C2

Isomeric SMILES

B(O)(O)O.CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=NC=CN=C2

InChI

InChI=1S/C14H13N3O3.C6H13NO2.BH3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10;1-4(2)3-5(7)6(8)9;2-1(3)4/h1-7,9,11H,8H2,(H,17,18)(H,19,20);4-5H,3,7H2,1-2H3,(H,8,9);2-4H