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

Systemtic Name: 2-oxidanyl-3-[2-(3-oxidanylidene-5-phenyl-2-propan-2-yl-1-thiophen-2-ylcarbonyl-2H-pyrazin-4-yl)ethanoylamino]-4-phenyl-butanoic acid Openeye Name: 2-hydroxy-3-[[2-[2-isopropyl-3-oxo-5-phenyl-1-(thiophene-2-carbonyl)-2H-pyrazin-4-yl]acetyl]amino]-4-phenyl-butanoic acid CAS Name: 2-hydroxy-3-[[1-oxo-2-[3-oxo-1-[oxo(thiophen-2-yl)methyl]-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]ethyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-hydroxy-3-[[2-[3-oxo-5-phenyl-2-propan-2-yl-1-(thiophene-2-carbonyl)-2H-pyrazin-4-yl]acetyl]amino]-4-phenylbutanoic acid Traditional Name: 2-hydroxy-3-[[2-[2-isopropyl-3-keto-5-phenyl-1-(2-thenoyl)-2H-pyrazin-4-yl]acetyl]amino]-4-phenyl-butyric acid Formula: C30H31N3O6S MolecularWeight: 561.64864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=CS2)C3=CC=CC=C3)CC(=O)NC(CC4=CC=CC=C4)C(C(=O)O)O

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=CS2)C3=CC=CC=C3)CC(=O)NC(CC4=CC=CC=C4)C(C(=O)O)O

InChI

InChI=1S/C30H31N3O6S/c1-19(2)26-29(37)32(18-25(34)31-22(27(35)30(38)39)16-20-10-5-3-6-11-20)23(21-12-7-4-8-13-21)17-33(26)28(36)24-14-9-15-40-24/h3-15,17,19,22,26-27,35H,16,18H2,1-2H3,(H,31,34)(H,38,39)