(2S)-2-azido-3-[3,5-dimethyl-4-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]phenyl]propanoic acid

Systemtic Name: (2S)-2-azido-3-[3,5-dimethyl-4-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]phenyl]propanoic acid Openeye Name: (2S)-2-azido-3-[4-[(4-hydroxy-3-isopropyl-phenyl)methyl]-3,5-dimethyl-phenyl]propanoic acid CAS Name: (2S)-2-azido-3-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]propanoic acid IUPAC Name: (2S)-2-azido-3-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]propanoic acid Traditional Name: (2S)-2-azido-3-[4-(4-hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenyl]propionic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)CC(C(=O)O)N=[N+]=[N-]

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)C[C@@H](C(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C21H25N3O3/c1-12(2)17-9-15(5-6-20(17)25)10-18-13(3)7-16(8-14(18)4)11-19(21(26)27)23-24-22/h5-9,12,19,25H,10-11H2,1-4H3,(H,26,27)/t19-/m0/s1