(5S)-6-(carboxymethylamino)-2,6-bis(oxidanylidene)-5-(phenylmethoxycarbonylamino)hexane-1-diazonium

Systemtic Name: (5S)-6-(carboxymethylamino)-2,6-bis(oxidanylidene)-5-(phenylmethoxycarbonylamino)hexane-1-diazonium Openeye Name: (5S)-5-(benzyloxycarbonylamino)-6-(carboxymethylamino)-2,6-dioxo-hexane-1-diazonium CAS Name: (5S)-6-(carboxymethylamino)-2,6-dioxo-5-(phenylmethoxycarbonylamino)-1-hexanediazonium IUPAC Name: (5S)-6-(carboxymethylamino)-2,6-dioxo-5-(phenylmethoxycarbonylamino)hexane-1-diazonium Traditional Name: (5S)-5-(benzyloxycarbonylamino)-6-(carboxymethylamino)-2,6-diketo-hexane-1-diazonium Formula: C16H19N4O6+ MolecularWeight: 363.34526

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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)/p+1/t13-/m0/s1