(Z,3S)-2-oxidanyl-3-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-1-ene-1-diazonium

Systemtic Name: (Z,3S)-2-oxidanyl-3-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-1-ene-1-diazonium Openeye Name: (Z,3S)-3-benzyloxy-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-hydroxy-prop-1-ene-1-diazonium CAS Name: (Z,3S)-2-hydroxy-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenylmethoxy-1-propene-1-diazonium IUPAC Name: (Z,3S)-2-hydroxy-3-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-1-ene-1-diazonium Traditional Name: (Z,3S)-3-benzoxy-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-hydroxy-prop-1-ene-1-diazonium Formula: C27H27N4O5+ MolecularWeight: 487.52708

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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)/p+1/b24-17-/t23-,26-/m0/s1