[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=NC=CN=C1N)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=NC=CN=C1N)C2=CC=CC=C2

InChI

InChI=1S/C16H18N4O3/c1-11(12-5-3-2-4-6-12)9-20-13(21)10-23-16(22)14-15(17)19-8-7-18-14/h2-8,11H,9-10H2,1H3,(H2,17,19)(H,20,21)/t11-/m1/s1