methyl-(6-oxidanyl-6-oxidanylidene-4-phenylmethoxycarbonyl-hexyl)-phenylmethoxycarbonyl-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]azanium

Systemtic Name: methyl-(6-oxidanyl-6-oxidanylidene-4-phenylmethoxycarbonyl-hexyl)-phenylmethoxycarbonyl-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]azanium Openeye Name: benzyloxycarbonyl-[(Z)-N'-benzyloxycarbonylcarbamimidoyl]-(4-benzyloxycarbonyl-6-hydroxy-6-oxo-hexyl)-methyl-ammonium CAS Name: [(Z)-amino(phenylmethoxycarbonylimino)methyl]-(6-hydroxy-6-oxo-4-phenylmethoxycarbonylhexyl)-methyl-phenylmethoxycarbonylammonium IUPAC Name: (6-hydroxy-6-oxo-4-phenylmethoxycarbonylhexyl)-methyl-phenylmethoxycarbonyl-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]azanium Traditional Name: carbobenzoxy-[(Z)-N'-carbobenzoxyamidino]-(4-carbobenzoxy-6-hydroxy-6-keto-hexyl)-methyl-ammonium Formula: C32H36N3O8+ MolecularWeight: 590.64354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCCC(CC(=O)O)C(=O)OCC1=CC=CC=C1)(C(=NC(=O)OCC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[N+](CCCC(CC(=O)O)C(=O)OCC1=CC=CC=C1)(/C(=N\C(=O)OCC2=CC=CC=C2)/N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H35N3O8/c1-35(32(40)43-23-26-16-9-4-10-17-26,30(33)34-31(39)42-22-25-14-7-3-8-15-25)19-11-18-27(20-28(36)37)29(38)41-21-24-12-5-2-6-13-24/h2-10,12-17,27H,11,18-23H2,1H3,(H2-,33,34,36,37,39)/p+1