methyl (2S,4S)-4-(4,5-diaminocarbonyl-1,2,3-triazol-1-yl)-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(4,5-diaminocarbonyl-1,2,3-triazol-1-yl)-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4,5-dicarbamoyltriazol-1-yl)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(4,5-dicarbamoyl-1-triazolyl)-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4,5-dicarbamoyltriazol-1-yl)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(4,5-dicarbamoyltriazol-1-yl)-1-pyrazinoyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C15H16N8O5 MolecularWeight: 388.33814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C2=NC=CN=C2)N3C(=C(N=N3)C(=O)N)C(=O)N

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](CN1C(=O)C2=NC=CN=C2)N3C(=C(N=N3)C(=O)N)C(=O)N

InChI

InChI=1S/C15H16N8O5/c1-28-15(27)9-4-7(6-22(9)14(26)8-5-18-2-3-19-8)23-11(13(17)25)10(12(16)24)20-21-23/h2-3,5,7,9H,4,6H2,1H3,(H2,16,24)(H2,17,25)/t7-,9-/m0/s1