2-[(3-methoxycarbonyl-1-adamantyl)carbonyl-pyridin-4-yl-amino]propanoic acid

Systemtic Name: 2-[(3-methoxycarbonyl-1-adamantyl)carbonyl-pyridin-4-yl-amino]propanoic acid Openeye Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)-(4-pyridyl)amino]propanoic acid CAS Name: 2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]-pyridin-4-ylamino]propanoic acid IUPAC Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)-pyridin-4-ylamino]propanoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)-(4-pyridyl)amino]propionic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=NC=C1)C(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

CC(C(=O)O)N(C1=CC=NC=C1)C(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C21H26N2O5/c1-13(17(24)25)23(16-3-5-22-6-4-16)18(26)20-8-14-7-15(9-20)11-21(10-14,12-20)19(27)28-2/h3-6,13-15H,7-12H2,1-2H3,(H,24,25)