2-oxidanylidene-3-[2-[3-oxidanylidene-1-(phenylcarbonyl)-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]ethanoylamino]-4-phenyl-butanoate

Systemtic Name: 2-oxidanylidene-3-[2-[3-oxidanylidene-1-(phenylcarbonyl)-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]ethanoylamino]-4-phenyl-butanoate Openeye Name: 3-[[2-[1-benzoyl-2-isopropyl-3-oxo-5-(3,4,5-triacetoxyphenyl)-2H-pyrazin-4-yl]acetyl]amino]-2-oxo-4-phenyl-butanoate CAS Name: 3-[[2-[1-benzoyl-3-oxo-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]-1-oxoethyl]amino]-2-oxo-4-phenylbutanoate IUPAC Name: 3-[[2-[1-benzoyl-3-oxo-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]acetyl]amino]-2-oxo-4-phenylbutanoate Traditional Name: 3-[[2-[1-benzoyl-2-isopropyl-3-keto-5-(3,4,5-triacetoxyphenyl)-2H-pyrazin-4-yl]acetyl]amino]-2-keto-4-phenyl-butyrate Formula: C38H36N3O12- MolecularWeight: 726.70534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=CC=C2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)CC(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)[O-]

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=CC=C2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)CC(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)[O-]

InChI

InChI=1S/C38H37N3O12/c1-21(2)33-37(48)40(20-32(45)39-28(34(46)38(49)50)16-25-12-8-6-9-13-25)29(19-41(33)36(47)26-14-10-7-11-15-26)27-17-30(51-22(3)42)35(53-24(5)44)31(18-27)52-23(4)43/h6-15,17-19,21,28,33H,16,20H2,1-5H3,(H,39,45)(H,49,50)/p-1