3-[(5-bromanylfuran-2-yl)carbonylamino]-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[(5-bromanylfuran-2-yl)carbonylamino]-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[(5-bromofuran-2-carbonyl)amino]-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(5-bromofuran-2-carbonyl)amino]-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-[(5-bromo-2-furoyl)amino]-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C23H19BrClN3O7 MolecularWeight: 564.76986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C3=CC=C(O3)Br)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C3=CC=C(O3)Br)C(=O)O)Cl

InChI

InChI=1S/C23H19BrClN3O7/c24-19-7-6-18(35-19)22(32)27-11-17(23(33)34)28-21(31)15-5-4-13(9-16(15)25)20(30)26-10-12-2-1-3-14(29)8-12/h1-9,17,29H,10-11H2,(H,26,30)(H,27,32)(H,28,31)(H,33,34)