[(2S)-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 3-azanylpyrazine-2-carboxylate Openeye Name: [(1S)-1-(phenylcarbamoyl)propyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [(2S)-1-anilino-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxobutan-2-yl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [(1S)-1-(phenylcarbamoyl)propyl] ester Formula: C15H16N4O3 MolecularWeight: 300.31254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=NC=CN=C2N

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C15H16N4O3/c1-2-11(14(20)19-10-6-4-3-5-7-10)22-15(21)12-13(16)18-9-8-17-12/h3-9,11H,2H2,1H3,(H2,16,18)(H,19,20)/t11-/m0/s1