3-[2-[5-(3,4-dimethoxyphenyl)-1-ethanoyl-3-oxidanylidene-2-propan-2-yl-2H-pyrazin-4-yl]ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid

Systemtic Name: 3-[2-[5-(3,4-dimethoxyphenyl)-1-ethanoyl-3-oxidanylidene-2-propan-2-yl-2H-pyrazin-4-yl]ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid Openeye Name: 3-[[2-[1-acetyl-5-(3,4-dimethoxyphenyl)-2-isopropyl-3-oxo-2H-pyrazin-4-yl]acetyl]amino]-2-hydroxy-4-phenyl-butanoic acid CAS Name: 3-[[2-[1-acetyl-5-(3,4-dimethoxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]-1-oxoethyl]amino]-2-hydroxy-4-phenylbutanoic acid IUPAC Name: 3-[[2-[1-acetyl-5-(3,4-dimethoxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetyl]amino]-2-hydroxy-4-phenylbutanoic acid Traditional Name: 3-[[2-[1-acetyl-5-(3,4-dimethoxyphenyl)-2-isopropyl-3-keto-2H-pyrazin-4-yl]acetyl]amino]-2-hydroxy-4-phenyl-butyric acid Formula: C29H35N3O8 MolecularWeight: 553.6035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1C(=O)C)C2=CC(=C(C=C2)OC)OC)CC(=O)NC(CC3=CC=CC=C3)C(C(=O)O)O

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C)C2=CC(=C(C=C2)OC)OC)CC(=O)NC(CC3=CC=CC=C3)C(C(=O)O)O

InChI

InChI=1S/C29H35N3O8/c1-17(2)26-28(36)32(16-25(34)30-21(27(35)29(37)38)13-19-9-7-6-8-10-19)22(15-31(26)18(3)33)20-11-12-23(39-4)24(14-20)40-5/h6-12,14-15,17,21,26-27,35H,13,16H2,1-5H3,(H,30,34)(H,37,38)