(2S)-2-acetamido-3-[3-[4-[(2S)-2-acetamido-3-oxidanyl-3-oxidanylidene-propyl]-2-chloranyl-phenoxy]-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: (2S)-2-acetamido-3-[3-[4-[(2S)-2-acetamido-3-oxidanyl-3-oxidanylidene-propyl]-2-chloranyl-phenoxy]-4-oxidanyl-phenyl]propanoic acid Openeye Name: (2S)-2-acetamido-3-[3-[4-[(2S)-2-acetamido-3-hydroxy-3-oxo-propyl]-2-chloro-phenoxy]-4-hydroxy-phenyl]propanoic acid CAS Name: (2S)-2-acetamido-3-[3-[4-[(2S)-2-acetamido-3-hydroxy-3-oxopropyl]-2-chlorophenoxy]-4-hydroxyphenyl]propanoic acid IUPAC Name: (2S)-2-acetamido-3-[3-[4-[(2S)-2-acetamido-3-hydroxy-3-oxopropyl]-2-chlorophenoxy]-4-hydroxyphenyl]propanoic acid Traditional Name: (2S)-2-acetamido-3-[3-[4-[(2S)-2-acetamido-3-hydroxy-3-keto-propyl]-2-chloro-phenoxy]-4-hydroxy-phenyl]propionic acid Formula: C22H23ClN2O8 MolecularWeight: 478.87962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)O)OC2=C(C=C(C=C2)CC(C(=O)O)NC(=O)C)Cl)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=C(C=C1)O)OC2=C(C=C(C=C2)C[C@@H](C(=O)O)NC(=O)C)Cl)C(=O)O

InChI

InChI=1S/C22H23ClN2O8/c1-11(26)24-16(21(29)30)8-13-4-6-19(15(23)7-13)33-20-10-14(3-5-18(20)28)9-17(22(31)32)25-12(2)27/h3-7,10,16-17,28H,8-9H2,1-2H3,(H,24,26)(H,25,27)(H,29,30)(H,31,32)/t16-,17-/m0/s1