2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propionic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=C1C=CC=N2)(C(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CNC2=C1C=CC=N2)(C(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H27N3O4/c1-22(20(26)27,10-16-11-24-19-17(16)3-2-4-23-19)25-21(28)29-18-14-6-12-5-13(8-14)9-15(18)7-12/h2-4,11-15,18H,5-10H2,1H3,(H,23,24)(H,25,28)(H,26,27)