(Z,3S)-1-diazonio-4-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-en-2-olate

Systemtic Name: (Z,3S)-1-diazonio-4-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-en-2-olate Openeye Name: (Z,3S)-4-benzyloxy-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-pent-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-4-phenylmethoxy-1-penten-2-olate IUPAC Name: (Z,3S)-1-diazonio-4-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-en-2-olate Traditional Name: (Z,3S)-4-benzoxy-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-pent-1-en-2-olate Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=C[N+]#N)[O-])NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC([C@@H](/C(=C/[N+]#N)/[O-])NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H30N4O5/c1-21(37-19-23-13-7-3-8-14-23)27(26(34)18-31-30)33-28(35)25(17-22-11-5-2-6-12-22)32-29(36)38-20-24-15-9-4-10-16-24/h2-16,18,21,25,27H,17,19-20H2,1H3,(H2-,32,33,34,35,36)/b26-18-/t21?,25-,27-/m0/s1