2-[2-(1-adamantyl)propan-2-yloxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(1-adamantyl)propan-2-yloxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(1-adamantyl)-1-methyl-ethoxy]carbonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(1-adamantyl)propan-2-yloxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-(1-adamantyl)propan-2-yloxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(1-adamantyl)-1-methyl-ethoxy]carbonylamino]-3-phenyl-propionic acid Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C12CC3CC(C1)CC(C3)C2)OC(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C12CC3CC(C1)CC(C3)C2)OC(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H31NO4/c1-22(2,23-12-16-8-17(13-23)10-18(9-16)14-23)28-21(27)24-19(20(25)26)11-15-6-4-3-5-7-15/h3-7,16-19H,8-14H2,1-2H3,(H,24,27)(H,25,26)