2-[[4-[1,2-di(butanoyloxy)-2-pyridin-3-yl-ethyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[1,2-di(butanoyloxy)-2-pyridin-3-yl-ethyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[1,2-di(butanoyloxy)-2-(3-pyridyl)ethyl]-2-phenyl-benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[1,2-bis(1-oxobutoxy)-2-(3-pyridinyl)ethyl]-2-phenylphenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[1,2-di(butanoyloxy)-2-pyridin-3-ylethyl]-2-phenylbenzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[1,2-dibutyryloxy-2-(3-pyridyl)ethyl]-2-phenyl-benzoyl]amino]-4-mesyl-butyric acid Formula: C33H38N2O9S MolecularWeight: 638.72782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C1=CC(=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C2=CC=CC=C2)C(C3=CN=CC=C3)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC(C1=CC(=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C2=CC=CC=C2)C(C3=CN=CC=C3)OC(=O)CCC

InChI

InChI=1S/C33H38N2O9S/c1-4-10-28(36)43-30(31(44-29(37)11-5-2)24-14-9-18-34-21-24)23-15-16-25(26(20-23)22-12-7-6-8-13-22)32(38)35-27(33(39)40)17-19-45(3,41)42/h6-9,12-16,18,20-21,27,30-31H,4-5,10-11,17,19H2,1-3H3,(H,35,38)(H,39,40)