2-azanyl-4-methyl-pentanoic acid; 3-phenyl-2-(2H-pyrazin-1-ylcarbonylamino)propanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 3-phenyl-2-(2H-pyrazin-1-ylcarbonylamino)propanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 3-phenyl-2-(2H-pyrazine-1-carbonylamino)propanoic acid CAS Name: 2-amino-4-methylpentanoic acid; 2-[[oxo(2H-pyrazin-1-yl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; 3-phenyl-2-(2H-pyrazine-1-carbonylamino)propanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; 3-phenyl-2-(2H-pyrazine-1-carbonylamino)propionic acid Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.C1C=NC=CN1C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N.C1C=NC=CN1C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15N3O3.C6H13NO2/c18-13(19)12(10-11-4-2-1-3-5-11)16-14(20)17-8-6-15-7-9-17;1-4(2)3-5(7)6(8)9/h1-8,12H,9-10H2,(H,16,20)(H,18,19);4-5H,3,7H2,1-2H3,(H,8,9)