N-[[4-[[(2S)-1-azido-3-phenyl-propan-2-yl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[(2S)-1-azido-3-phenyl-propan-2-yl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[(1S)-1-(azidomethyl)-2-phenyl-ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[(2S)-1-azido-3-phenylpropan-2-yl]amino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[(2S)-1-azido-3-phenylpropan-2-yl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[(1S)-1-(azidomethyl)-2-phenyl-ethyl]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC(CC5=CC=CC=C5)CN=[N+]=[N-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)N[C@@H](CC5=CC=CC=C5)CN=[N+]=[N-]

InChI

InChI=1S/C28H33N5O2/c29-33-31-18-25(13-19-4-2-1-3-5-19)32-26(34)24-8-6-20(7-9-24)17-30-27(35)28-14-21-10-22(15-28)12-23(11-21)16-28/h1-9,21-23,25H,10-18H2,(H,30,35)(H,32,34)/t21?,22?,23?,25-,28?/m0/s1