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

Systemtic Name: (2S)-2-[3-(5,6-dimethyl-3-oxidanylidene-4-phenylmethoxy-pyrazin-2-yl)propanoylamino]propanoic acid Openeye Name: (2S)-2-[3-(4-benzyloxy-5,6-dimethyl-3-oxo-pyrazin-2-yl)propanoylamino]propanoic acid CAS Name: (2S)-2-[[3-(5,6-dimethyl-3-oxo-4-phenylmethoxy-2-pyrazinyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-(5,6-dimethyl-3-oxo-4-phenylmethoxypyrazin-2-yl)propanoylamino]propanoic acid Traditional Name: (2S)-2-[3-(4-benzoxy-3-keto-5,6-dimethyl-pyrazin-2-yl)propanoylamino]propionic acid Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5/c1-12-14(3)22(27-11-15-7-5-4-6-8-15)18(24)16(20-12)9-10-17(23)21-13(2)19(25)26/h4-8,13H,9-11H2,1-3H3,(H,21,23)(H,25,26)/t13-/m0/s1