(E,3S)-1-diazonio-5-methyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-1-en-2-olate

Systemtic Name: (E,3S)-1-diazonio-5-methyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-1-en-2-olate Openeye Name: (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-1-diazonio-5-methyl-hex-1-en-2-olate CAS Name: (E,3S)-1-diazonio-5-methyl-3-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-hexen-2-olate IUPAC Name: (E,3S)-1-diazonio-5-methyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-1-en-2-olate Traditional Name: (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-1-diazonio-5-methyl-hex-1-en-2-olate Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=C[N+]#N)[O-])NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)/C(=C\[N+]#N)/[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H24N4O4/c1-12(2)9-15(16(23)10-20-19)22-17(24)13(3)21-18(25)26-11-14-7-5-4-6-8-14/h4-8,10,12-13,15H,9,11H2,1-3H3,(H2-,21,22,23,24,25)/b16-10+/t13-,15-/m0/s1