ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate; 5-fluoranyl-2-oxidanylidene-1H-pyrazine-3-carboxamide

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate; 5-fluoranyl-2-oxidanylidene-1H-pyrazine-3-carboxamide Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate; 5-fluoro-2-oxo-1H-pyrazine-3-carboxamide CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester; 5-fluoro-2-oxo-1H-pyrazine-3-carboxamide IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate; 5-fluoro-2-oxo-1H-pyrazine-3-carboxamide Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester; 5-fluoro-2-keto-1H-pyrazine-3-carboxamide Formula: C21H32FN5O6 MolecularWeight: 469.507083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC.C1=C(N=C(C(=O)N1)C(=O)N)F

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC.C1=C(N=C(C(=O)N1)C(=O)N)F

InChI

InChI=1S/C16H28N2O4.C5H4FN3O2/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;6-2-1-8-5(11)3(9-2)4(7)10/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);1H,(H2,7,10)(H,8,11)/t13-,14+,15+;/m0./s1