3-[[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid

Systemtic Name: 3-[[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid Openeye Name: 3-[[1-[(2-benzyloxy-5-bromo-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]-4-hydroxy-butanoic acid CAS Name: 3-[[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]-oxomethyl]amino]-4-hydroxybutanoic acid IUPAC Name: 3-[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]-4-hydroxybutanoic acid Traditional Name: 3-[[1-(2-benzoxy-5-bromo-benzyl)-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]-4-hydroxy-butyric acid Formula: C26H30BrN3O5 MolecularWeight: 544.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(CN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)NC(CC(=O)O)CO

Isomeric SMILES

CCNC1=CC=C(CN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)NC(CC(=O)O)CO

InChI

InChI=1S/C26H30BrN3O5/c1-2-28-24-11-8-19(26(34)29-22(16-31)13-25(32)33)14-30(24)15-20-12-21(27)9-10-23(20)35-17-18-6-4-3-5-7-18/h3-12,22,28,31H,2,13-17H2,1H3,(H,29,34)(H,32,33)