2-[[2-[2-(1-adamantyl)ethanoylamino]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[2-(1-adamantyl)ethanoylamino]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-(1-adamantyl)acetyl]amino]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[[2-(1-adamantyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[2-(1-adamantyl)acetyl]amino]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-(1-adamantyl)acetyl]amino]benzoyl]amino]-3-phenyl-propionic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC=C4C(=O)NC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC=C4C(=O)NC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H32N2O4/c31-25(17-28-14-19-10-20(15-28)12-21(11-19)16-28)29-23-9-5-4-8-22(23)26(32)30-24(27(33)34)13-18-6-2-1-3-7-18/h1-9,19-21,24H,10-17H2,(H,29,31)(H,30,32)(H,33,34)