(2R)-2-azanyl-3-[3,5-bis(bromanyl)-4-[4-oxidanyl-3-[(6-oxidanylidene-1H-pyridin-3-yl)methyl]phenyl]sulfanyl-phenyl]propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[3,5-bis(bromanyl)-4-[4-oxidanyl-3-[(6-oxidanylidene-1H-pyridin-3-yl)methyl]phenyl]sulfanyl-phenyl]propanoic acid Openeye Name: (2R)-2-amino-3-[3,5-dibromo-4-[4-hydroxy-3-[(6-oxo-1H-pyridin-3-yl)methyl]phenyl]sulfanyl-phenyl]propanoic acid CAS Name: (2R)-2-amino-3-[3,5-dibromo-4-[[4-hydroxy-3-[(6-oxo-1H-pyridin-3-yl)methyl]phenyl]thio]phenyl]propanoic acid IUPAC Name: (2R)-2-amino-3-[3,5-dibromo-4-[4-hydroxy-3-[(6-oxo-1H-pyridin-3-yl)methyl]phenyl]sulfanylphenyl]propanoic acid Traditional Name: (2R)-2-amino-3-[3,5-dibromo-4-[[4-hydroxy-3-[(6-keto-1H-pyridin-3-yl)methyl]phenyl]thio]phenyl]propionic acid Formula: C21H18Br2N2O4S MolecularWeight: 554.25162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=C(C=C(C=C2Br)CC(C(=O)O)N)Br)CC3=CNC(=O)C=C3)O

Isomeric SMILES

C1=CC(=C(C=C1SC2=C(C=C(C=C2Br)C[C@H](C(=O)O)N)Br)CC3=CNC(=O)C=C3)O

InChI

InChI=1S/C21H18Br2N2O4S/c22-15-6-12(8-17(24)21(28)29)7-16(23)20(15)30-14-2-3-18(26)13(9-14)5-11-1-4-19(27)25-10-11/h1-4,6-7,9-10,17,26H,5,8,24H2,(H,25,27)(H,28,29)/t17-/m1/s1