(2S)-2-azanyl-3-[3,5-diethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3,5-diethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[3,5-diethyl-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]propionic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)CC)CC(C(=O)O)N

Isomeric SMILES

CCC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)CC)C[C@@H](C(=O)O)N

InChI

InChI=1S/C22H29NO4/c1-5-15-9-14(11-19(23)22(25)26)10-16(6-2)21(15)27-17-7-8-20(24)18(12-17)13(3)4/h7-10,12-13,19,24H,5-6,11,23H2,1-4H3,(H,25,26)/t19-/m0/s1