(Z,3S)-1-diazonio-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-phenyl-but-1-en-2-olate

Systemtic Name: (Z,3S)-1-diazonio-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-phenyl-but-1-en-2-olate Openeye Name: (Z,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-1-diazonio-4-phenyl-but-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-3-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-4-phenyl-1-buten-2-olate IUPAC Name: (Z,3S)-1-diazonio-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-phenylbut-1-en-2-olate Traditional Name: (Z,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-1-diazonio-4-phenyl-but-1-en-2-olate Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C23H26N4O4/c1-16(2)21(27-23(30)31-15-18-11-7-4-8-12-18)22(29)26-19(20(28)14-25-24)13-17-9-5-3-6-10-17/h3-12,14,16,19,21H,13,15H2,1-2H3,(H2-,26,27,28,29,30)/b20-14-/t19-,21-/m0/s1