[(5S)-6-(4-nitrophenoxy)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]azanium

Systemtic Name: [(5S)-6-(4-nitrophenoxy)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]azanium Openeye Name: [(5S)-5-(benzyloxycarbonylamino)-6-(4-nitrophenoxy)-6-oxo-hexyl]ammonium CAS Name: [(5S)-6-(4-nitrophenoxy)-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]ammonium IUPAC Name: [(5S)-6-(4-nitrophenoxy)-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]azanium Traditional Name: [(5S)-5-(benzyloxycarbonylamino)-6-keto-6-(4-nitrophenoxy)hexyl]ammonium Formula: C20H24N3O6+ MolecularWeight: 402.42106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCC[NH3+])C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCC[NH3+])C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c21-13-5-4-8-18(22-20(25)28-14-15-6-2-1-3-7-15)19(24)29-17-11-9-16(10-12-17)23(26)27/h1-3,6-7,9-12,18H,4-5,8,13-14,21H2,(H,22,25)/p+1/t18-/m0/s1