(Z,3S)-1-diazonio-5-methyl-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hex-1-en-2-olate

Systemtic Name: (Z,3S)-1-diazonio-5-methyl-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hex-1-en-2-olate Openeye Name: (Z,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-1-diazonio-5-methyl-hex-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-5-methyl-3-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-hexen-2-olate IUPAC Name: (Z,3S)-1-diazonio-5-methyl-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hex-1-en-2-olate Traditional Name: (Z,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-1-diazonio-5-methyl-hex-1-en-2-olate Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4/c1-14(2)10-17(19(26)12-23-22)24-20(27)18(11-15(3)4)25-21(28)29-13-16-8-6-5-7-9-16/h5-9,12,14-15,17-18H,10-11,13H2,1-4H3,(H2-,24,25,26,27,28)/b19-12-/t17-,18-/m0/s1