(Z,3S)-1-diazonio-3-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-1-en-2-olate

Systemtic Name: (Z,3S)-1-diazonio-3-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-1-en-2-olate Openeye Name: (Z,3S)-3-benzyloxy-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-prop-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenylmethoxy-1-propen-2-olate IUPAC Name: (Z,3S)-1-diazonio-3-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-1-en-2-olate Traditional Name: (Z,3S)-3-benzoxy-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-prop-1-en-2-olate Formula: C27H26N4O5 MolecularWeight: 486.51914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(C(=C[N+]#N)[O-])OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](/C(=C/[N+]#N)/[O-])OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26N4O5/c28-29-17-24(32)26(35-18-21-12-6-2-7-13-21)31-25(33)23(16-20-10-4-1-5-11-20)30-27(34)36-19-22-14-8-3-9-15-22/h1-15,17,23,26H,16,18-19H2,(H2-,30,31,32,33,34)/b24-17-/t23-,26-/m0/s1