diethyl (2S)-2-[[1-[(5-azanyl-6-cyano-pyrazin-2-yl)methyl]piperidin-4-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[1-[(5-azanyl-6-cyano-pyrazin-2-yl)methyl]piperidin-4-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[1-[(5-amino-6-cyano-pyrazin-2-yl)methyl]piperidine-4-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[1-[(5-amino-6-cyano-2-pyrazinyl)methyl]-4-piperidinyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[1-[(5-amino-6-cyanopyrazin-2-yl)methyl]piperidine-4-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[1-[(5-amino-6-cyano-pyrazin-2-yl)methyl]isonipecotoyl]amino]glutaric acid diethyl ester Formula: C21H30N6O5 MolecularWeight: 446.5001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1CCN(CC1)CC2=CN=C(C(=N2)C#N)N

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1CCN(CC1)CC2=CN=C(C(=N2)C#N)N

InChI

InChI=1S/C21H30N6O5/c1-3-31-18(28)6-5-16(21(30)32-4-2)26-20(29)14-7-9-27(10-8-14)13-15-12-24-19(23)17(11-22)25-15/h12,14,16H,3-10,13H2,1-2H3,(H2,23,24)(H,26,29)/t16-/m0/s1