(1R)-1-carboxy-N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]-4-phenyl-cyclohexa-2,4-diene-1-carbonitrilium

Systemtic Name: (1R)-1-carboxy-N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]-4-phenyl-cyclohexa-2,4-diene-1-carbonitrilium Openeye Name: (1R)-N-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]-1-carboxy-4-phenyl-cyclohexa-2,4-diene-1-carbonitrilium CAS Name: (1R)-1-carboxy-N-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]-4-phenyl-1-cyclohexa-2,4-dienecarbonitrilium IUPAC Name: (1R)-1-carboxy-N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]-4-phenylcyclohexa-2,4-diene-1-carbonitrilium Traditional Name: (1R)-N-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]-1-carboxy-4-phenyl-cyclohexa-2,4-diene-1-carbonitrilium Formula: C28H31N2O4+ MolecularWeight: 459.55674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C[N+]#CC2(CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C[N+]#C[C@]2(CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H30N2O4/c1-27(2,3)34-26(33)30-24(18-21-10-6-4-7-11-21)19-29-20-28(25(31)32)16-14-23(15-17-28)22-12-8-5-9-13-22/h4-16,24H,17-19H2,1-3H3,(H-,30,31,32,33)/p+1/t24-,28-/m0/s1