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

Systemtic Name: 3-[2-[5-(3,4-diacetyloxyphenyl)-1-ethanoyl-3-oxidanylidene-2-propan-2-yl-2H-pyrazin-4-yl]ethanoylamino]-2-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 3-[[2-[1-acetyl-5-(3,4-diacetoxyphenyl)-2-isopropyl-3-oxo-2H-pyrazin-4-yl]acetyl]amino]-2-oxo-4-phenyl-butanoic acid CAS Name: 3-[[2-[1-acetyl-5-(3,4-diacetyloxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]-1-oxoethyl]amino]-2-oxo-4-phenylbutanoic acid IUPAC Name: 3-[[2-[1-acetyl-5-(3,4-diacetyloxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]acetyl]amino]-2-oxo-4-phenylbutanoic acid Traditional Name: 3-[[2-[1-acetyl-5-(3,4-diacetoxyphenyl)-2-isopropyl-3-keto-2H-pyrazin-4-yl]acetyl]amino]-2-keto-4-phenyl-butyric acid Formula: C31H33N3O10 MolecularWeight: 607.60782

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

InChI

InChI=1S/C31H33N3O10/c1-17(2)28-30(40)34(16-27(38)32-23(29(39)31(41)42)13-21-9-7-6-8-10-21)24(15-33(28)18(3)35)22-11-12-25(43-19(4)36)26(14-22)44-20(5)37/h6-12,14-15,17,23,28H,13,16H2,1-5H3,(H,32,38)(H,41,42)