methyl (2S)-2-[3-(5,6-dimethyl-3-oxidanylidene-4-phenylmethoxy-pyrazin-2-yl)propanoylamino]propanoate

Systemtic Name: methyl (2S)-2-[3-(5,6-dimethyl-3-oxidanylidene-4-phenylmethoxy-pyrazin-2-yl)propanoylamino]propanoate Openeye Name: methyl (2S)-2-[3-(4-benzyloxy-5,6-dimethyl-3-oxo-pyrazin-2-yl)propanoylamino]propanoate CAS Name: (2S)-2-[[3-(5,6-dimethyl-3-oxo-4-phenylmethoxy-2-pyrazinyl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(5,6-dimethyl-3-oxo-4-phenylmethoxypyrazin-2-yl)propanoylamino]propanoate Traditional Name: (2S)-2-[3-(4-benzoxy-3-keto-5,6-dimethyl-pyrazin-2-yl)propanoylamino]propionic acid methyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)C(=N1)CCC(=O)NC(C)C(=O)OC)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=O)C(=N1)CCC(=O)N[C@@H](C)C(=O)OC)OCC2=CC=CC=C2)C

InChI

InChI=1S/C20H25N3O5/c1-13-15(3)23(28-12-16-8-6-5-7-9-16)19(25)17(21-13)10-11-18(24)22-14(2)20(26)27-4/h5-9,14H,10-12H2,1-4H3,(H,22,24)/t14-/m0/s1