3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]propionic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NCCC(=O)O

InChI

InChI=1S/C25H30N2O3/c28-23(29)6-7-26-24(30)20-11-21(19-4-2-1-3-5-19)27-22(20)15-25-12-16-8-17(13-25)10-18(9-16)14-25/h1-5,11,16-18,27H,6-10,12-15H2,(H,26,30)(H,28,29)