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

Systemtic Name: (2S)-2-[3-(5,6-dimethyl-3-oxidanylidene-4-phenylmethoxy-pyrazin-2-yl)propanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[3-(4-benzyloxy-5,6-dimethyl-3-oxo-pyrazin-2-yl)propanoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[3-(5,6-dimethyl-3-oxo-4-phenylmethoxy-2-pyrazinyl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[3-(5,6-dimethyl-3-oxo-4-phenylmethoxypyrazin-2-yl)propanoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[3-(4-benzoxy-3-keto-5,6-dimethyl-pyrazin-2-yl)propanoylamino]-4-methyl-valeric acid Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-14(2)12-19(22(28)29)24-20(26)11-10-18-21(27)25(16(4)15(3)23-18)30-13-17-8-6-5-7-9-17/h5-9,14,19H,10-13H2,1-4H3,(H,24,26)(H,28,29)/t19-/m0/s1