(E,3S)-2-oxidanyl-4-phenyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-ene-1-diazonium

Systemtic Name: (E,3S)-2-oxidanyl-4-phenyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-ene-1-diazonium Openeye Name: (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-hydroxy-4-phenyl-but-1-ene-1-diazonium CAS Name: (E,3S)-2-hydroxy-3-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-4-phenyl-1-butene-1-diazonium IUPAC Name: (E,3S)-2-hydroxy-4-phenyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-ene-1-diazonium Traditional Name: (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-hydroxy-4-phenyl-but-1-ene-1-diazonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-15(24-21(28)29-14-17-10-6-3-7-11-17)20(27)25-18(19(26)13-23-22)12-16-8-4-2-5-9-16/h2-11,13,15,18H,12,14H2,1H3,(H2-,24,25,26,27,28)/p+1/b19-13+/t15-,18-/m0/s1