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

Systemtic Name: 2-[[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carbonyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carbonyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinoyl]amino]-3-hydroxy-propionic acid Formula: C25H26BrN3O5 MolecularWeight: 528.39504

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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(CO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O5/c1-2-29(23-11-8-18(13-27-23)24(31)28-21(15-30)25(32)33)14-19-12-20(26)9-10-22(19)34-16-17-6-4-3-5-7-17/h3-13,21,30H,2,14-16H2,1H3,(H,28,31)(H,32,33)