3-[2-(1-adamantyl)-3-(phenylmethyl)imidazol-4-yl]-2-azanyl-propanoic acid

Systemtic Name: 3-[2-(1-adamantyl)-3-(phenylmethyl)imidazol-4-yl]-2-azanyl-propanoic acid Openeye Name: 3-[2-(1-adamantyl)-3-benzyl-imidazol-4-yl]-2-amino-propanoic acid CAS Name: 3-[2-(1-adamantyl)-3-(phenylmethyl)-4-imidazolyl]-2-aminopropanoic acid IUPAC Name: 3-[2-(1-adamantyl)-3-benzylimidazol-4-yl]-2-aminopropanoic acid Traditional Name: 3-[2-(1-adamantyl)-3-benzyl-imidazol-4-yl]-2-amino-propionic acid Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC=C(N4CC5=CC=CC=C5)CC(C(=O)O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC=C(N4CC5=CC=CC=C5)CC(C(=O)O)N

InChI

InChI=1S/C23H29N3O2/c24-20(21(27)28)9-19-13-25-22(26(19)14-15-4-2-1-3-5-15)23-10-16-6-17(11-23)8-18(7-16)12-23/h1-5,13,16-18,20H,6-12,14,24H2,(H,27,28)