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

Systemtic Name: 2-[[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[1-[(2-benzyloxy-5-bromo-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[1-(2-benzoxy-5-bromo-benzyl)-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]-3-hydroxy-propionic acid Formula: C25H28BrN3O5 MolecularWeight: 530.41092

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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(CO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrN3O5/c1-2-27-23-11-8-18(24(31)28-21(15-30)25(32)33)13-29(23)14-19-12-20(26)9-10-22(19)34-16-17-6-4-3-5-7-17/h3-12,21,27,30H,2,13-16H2,1H3,(H,28,31)(H,32,33)