(2R)-3-(1H-indol-3-yl)-2-[[(1R,2R)-2-oxidanylcyclohexyl]azaniumyl]propanoate

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[[(1R,2R)-2-oxidanylcyclohexyl]azaniumyl]propanoate Openeye Name: (2R)-2-[[(1R,2R)-2-hydroxycyclohexyl]ammonio]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[(1R,2R)-2-hydroxycyclohexyl]ammonio]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[[(1R,2R)-2-hydroxycyclohexyl]azaniumyl]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[(1R,2R)-2-hydroxycyclohexyl]ammonio]-3-(1H-indol-3-yl)propionate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[NH2+]C(CC2=CNC3=CC=CC=C32)C(=O)[O-])O

Isomeric SMILES

C1CC[C@H]([C@@H](C1)[NH2+][C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])O

InChI

InChI=1S/C17H22N2O3/c20-16-8-4-3-7-14(16)19-15(17(21)22)9-11-10-18-13-6-2-1-5-12(11)13/h1-2,5-6,10,14-16,18-20H,3-4,7-9H2,(H,21,22)/t14-,15-,16-/m1/s1