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

Systemtic Name: 3-[[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid Openeye Name: 3-[[6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carbonyl]amino]-4-hydroxy-butanoic acid CAS Name: 3-[[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinyl]-oxomethyl]amino]-4-hydroxybutanoic acid IUPAC Name: 3-[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carbonyl]amino]-4-hydroxybutanoic acid Traditional Name: 3-[[6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinoyl]amino]-4-hydroxy-butyric acid Formula: C26H28BrN3O5 MolecularWeight: 542.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NC(CC(=O)O)CO

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NC(CC(=O)O)CO

InChI

InChI=1S/C26H28BrN3O5/c1-2-30(24-11-8-19(14-28-24)26(34)29-22(16-31)13-25(32)33)15-20-12-21(27)9-10-23(20)35-17-18-6-4-3-5-7-18/h3-12,14,22,31H,2,13,15-17H2,1H3,(H,29,34)(H,32,33)