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

Systemtic Name: 3-[2-[1-ethanoyl-3-oxidanylidene-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]ethanoylamino]-2-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 3-[[2-[1-acetyl-2-isopropyl-3-oxo-5-(3,4,5-triacetoxyphenyl)-2H-pyrazin-4-yl]acetyl]amino]-2-oxo-4-phenyl-butanoic acid CAS Name: 3-[[2-[1-acetyl-3-oxo-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]-1-oxoethyl]amino]-2-oxo-4-phenylbutanoic acid IUPAC Name: 3-[[2-[1-acetyl-3-oxo-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]acetyl]amino]-2-oxo-4-phenylbutanoic acid Traditional Name: 3-[[2-[1-acetyl-2-isopropyl-3-keto-5-(3,4,5-triacetoxyphenyl)-2H-pyrazin-4-yl]acetyl]amino]-2-keto-4-phenyl-butyric acid Formula: C33H35N3O12 MolecularWeight: 665.6439

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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(=O)C)OC(=O)C)OC(=O)C)CC(=O)NC(CC3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C33H35N3O12/c1-17(2)29-32(43)36(16-28(41)34-24(30(42)33(44)45)12-22-10-8-7-9-11-22)25(15-35(29)18(3)37)23-13-26(46-19(4)38)31(48-21(6)40)27(14-23)47-20(5)39/h7-11,13-15,17,24,29H,12,16H2,1-6H3,(H,34,41)(H,44,45)