2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidanidylpyridin-1-ium-3-yl)propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidanidylpyridin-1-ium-3-yl)propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidopyridin-1-ium-3-yl)propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-(1-oxido-3-pyridin-1-iumyl)propanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidopyridin-1-ium-3-yl)propanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidopyridin-1-ium-3-yl)propionic acid Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C[N+](=CC=C1)[O-])(C(=O)O)NC(=O)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(CC1=C[N+](=CC=C1)[O-])(C(=O)O)NC(=O)OC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H26N2O5/c1-20(18(23)24,10-12-3-2-4-22(26)11-12)21-19(25)27-17-15-6-13-5-14(8-15)9-16(17)7-13/h2-4,11,13-17H,5-10H2,1H3,(H,21,25)(H,23,24)