2-[[(2S)-6-diazonio-5-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-6-diazonio-5-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-6-diazonio-5-oxo-hexanoyl]amino]acetate CAS Name: 2-[[(2S)-6-diazonio-1,5-dioxo-2-(phenylmethoxycarbonylamino)hexyl]amino]acetate IUPAC Name: 2-[[(2S)-6-diazonio-5-oxo-2-(phenylmethoxycarbonylamino)hexanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-6-diazonio-5-keto-hexanoyl]amino]acetate Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)C[N+]#N)C(=O)NCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)C[N+]#N)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C16H18N4O6/c17-19-8-12(21)6-7-13(15(24)18-9-14(22)23)20-16(25)26-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H2-,18,20,22,23,24,25)/t13-/m0/s1