(2S)-2-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[2-(4-bromo-2-formyl-phenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[2-(4-bromo-2-formylphenoxy)-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[2-(4-bromo-2-formyl-phenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C18H16BrNO6 MolecularWeight: 422.22674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)COC2=C(C=C(C=C2)Br)C=O)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)COC2=C(C=C(C=C2)Br)C=O)O

InChI

InChI=1S/C18H16BrNO6/c19-13-3-6-16(12(8-13)9-21)26-10-17(23)20-15(18(24)25)7-11-1-4-14(22)5-2-11/h1-6,8-9,15,22H,7,10H2,(H,20,23)(H,24,25)/t15-/m0/s1