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

Systemtic Name: 2-[[2-(1-adamantylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(adamantane-1-carbonylamino)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[[1-adamantyl(oxo)methyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(adamantane-1-carbonylamino)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(adamantane-1-carbonylamino)benzoyl]amino]-3-phenyl-propionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c30-24(28-23(25(31)32)13-17-6-2-1-3-7-17)21-8-4-5-9-22(21)29-26(33)27-14-18-10-19(15-27)12-20(11-18)16-27/h1-9,18-20,23H,10-16H2,(H,28,30)(H,29,33)(H,31,32)