[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyrazine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-3-14(15-7-5-4-6-8-15)11-21-17(22)13(2)24-18(23)16-12-19-9-10-20-16/h4-10,12-14H,3,11H2,1-2H3,(H,21,22)/t13-,14+/m0/s1