[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CN=C(C=N1)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CN=C(C=N1)C

InChI

InChI=1S/C13H18N4O4/c1-4-8(2)16-13(20)17-11(18)7-21-12(19)10-6-14-9(3)5-15-10/h5-6,8H,4,7H2,1-3H3,(H2,16,17,18,20)/t8-/m0/s1