3-phenylpropanoyl 2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrazolidine-1-carboperoxoate

Systemtic Name: 3-phenylpropanoyl 2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrazolidine-1-carboperoxoate Openeye Name: 3-phenylpropanoyl 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrazolidine-1-carboperoxoate CAS Name: 2-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-pyrazolidinecarboperoxoic acid (1-oxo-3-phenylpropyl) ester IUPAC Name: 3-phenylpropanoyl 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrazolidine-1-carboperoxoate Traditional Name: 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrazolidine-1-carboperoxoic acid hydrocinnamoyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)OOC(=O)CCC2=CC=CC=C2)C(=O)C(CC3=CN=CN3)N

Isomeric SMILES

C1CN(N(C1)C(=O)OOC(=O)CCC2=CC=CC=C2)C(=O)C(CC3=CN=CN3)N

InChI

InChI=1S/C19H23N5O5/c20-16(11-15-12-21-13-22-15)18(26)23-9-4-10-24(23)19(27)29-28-17(25)8-7-14-5-2-1-3-6-14/h1-3,5-6,12-13,16H,4,7-11,20H2,(H,21,22)