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

Systemtic Name: 2-[[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]carbonylamino]pentanoic acid Openeye Name: 2-[[1-[(2-benzyloxy-5-bromo-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]pentanoic acid CAS Name: 2-[[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]pentanoic acid Traditional Name: 2-[[1-(2-benzoxy-5-bromo-benzyl)-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]valeric acid Formula: C27H32BrN3O4 MolecularWeight: 542.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C1=CC=C(N(C1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

Isomeric SMILES

CCCC(C(=O)O)NC(=O)C1=CC=C(N(C1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

InChI

InChI=1S/C27H32BrN3O4/c1-3-8-23(27(33)34)30-26(32)20-11-14-25(29-4-2)31(16-20)17-21-15-22(28)12-13-24(21)35-18-19-9-6-5-7-10-19/h5-7,9-15,23,29H,3-4,8,16-18H2,1-2H3,(H,30,32)(H,33,34)