2-[[1-[(4-tert-butylphenyl)methyl]-6-oxidanyl-4-oxidanylidene-2-(1-phenylcyclopentyl)pyrimidin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-oxidanyl-4-oxidanylidene-2-(1-phenylcyclopentyl)pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-(1-phenylcyclopentyl)pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-(1-phenylcyclopentyl)-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-(1-phenylcyclopentyl)pyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(4-tert-butylbenzyl)-6-hydroxy-4-keto-2-(1-phenylcyclopentyl)pyrimidine-5-carbonyl]amino]acetic acid Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3(CCCC3)C4=CC=CC=C4)C(=O)NCC(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3(CCCC3)C4=CC=CC=C4)C(=O)NCC(=O)O)O

InChI

InChI=1S/C29H33N3O5/c1-28(2,3)20-13-11-19(12-14-20)18-32-26(37)23(24(35)30-17-22(33)34)25(36)31-27(32)29(15-7-8-16-29)21-9-5-4-6-10-21/h4-6,9-14,37H,7-8,15-18H2,1-3H3,(H,30,35)(H,33,34)