(3S)-3-(1-adamantylcarbonylamino)-3-(4-cyclopentyloxyphenyl)propanoic acid

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(4-cyclopentyloxyphenyl)propanoic acid Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-[4-(cyclopentoxy)phenyl]propanoic acid CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(4-cyclopentyloxyphenyl)propanoic acid IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-cyclopentyloxyphenyl)propanoic acid Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-[4-(cyclopentoxy)phenyl]propionic acid Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=C(C=C2)C(CC(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(C1)OC2=CC=C(C=C2)[C@H](CC(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33NO4/c27-23(28)12-22(19-5-7-21(8-6-19)30-20-3-1-2-4-20)26-24(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h5-8,16-18,20,22H,1-4,9-15H2,(H,26,29)(H,27,28)/t16?,17?,18?,22-,25?/m0/s1