(2S)-3-(4-hydroxyphenyl)-2-[[(1S,2S)-2-oxidanylcyclohexyl]azaniumyl]propanoate

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[[(1S,2S)-2-oxidanylcyclohexyl]azaniumyl]propanoate Openeye Name: (2S)-2-[[(1S,2S)-2-hydroxycyclohexyl]ammonio]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(1S,2S)-2-hydroxycyclohexyl]ammonio]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[[(1S,2S)-2-hydroxycyclohexyl]azaniumyl]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(1S,2S)-2-hydroxycyclohexyl]ammonio]-3-(4-hydroxyphenyl)propionate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[NH2+]C(CC2=CC=C(C=C2)O)C(=O)[O-])O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)[NH2+][C@@H](CC2=CC=C(C=C2)O)C(=O)[O-])O

InChI

InChI=1S/C15H21NO4/c17-11-7-5-10(6-8-11)9-13(15(19)20)16-12-3-1-2-4-14(12)18/h5-8,12-14,16-18H,1-4,9H2,(H,19,20)/t12-,13-,14-/m0/s1