2-[(2S)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1-phenylmethoxycarbonyl-2H-pyrazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1-phenylmethoxycarbonyl-2H-pyrazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-1-benzyloxycarbonyl-4-(2-methoxy-2-oxo-ethyl)-3-oxo-2H-pyrazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-(2-methoxy-2-oxoethyl)-3-oxo-1-phenylmethoxycarbonyl-2H-pyrazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-(2-methoxy-2-oxoethyl)-3-oxo-1-phenylmethoxycarbonyl-2H-pyrazin-2-yl]acetic acid Traditional Name: 2-[(2S)-1-carbobenzoxy-3-keto-4-(2-keto-2-methoxy-ethyl)-2H-pyrazin-2-yl]acetic acid Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=CN(C(C1=O)CC(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1C=CN([C@H](C1=O)CC(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O7/c1-25-15(22)10-18-7-8-19(13(16(18)23)9-14(20)21)17(24)26-11-12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,20,21)/t13-/m0/s1