(E)-2-oxidanyl-3-oxidanylidene-5-phenyl-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-ene-1-diazonium

Systemtic Name: (E)-2-oxidanyl-3-oxidanylidene-5-phenyl-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-ene-1-diazonium Openeye Name: (E)-4-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-hydroxy-3-oxo-5-phenyl-pent-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-3-oxo-4-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-5-phenyl-1-pentene-1-diazonium IUPAC Name: (E)-2-hydroxy-3-oxo-5-phenyl-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-ene-1-diazonium Traditional Name: (E)-4-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-hydroxy-3-keto-5-phenyl-pent-1-ene-1-diazonium Formula: C28H27N4O5+ MolecularWeight: 499.53778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(=C[N+]#N)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)/C(=C\[N+]#N)/O)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H26N4O5/c29-30-18-25(33)26(34)23(16-20-10-4-1-5-11-20)31-27(35)24(17-21-12-6-2-7-13-21)32-28(36)37-19-22-14-8-3-9-15-22/h1-15,18,23-24H,16-17,19H2,(H2-,31,32,33,35,36)/p+1/b25-18+