2-tert-butyl-4-(phenylmethoxycarbonylamino)pentanedioic acid; dicyclohexylazanium

Systemtic Name: 2-tert-butyl-4-(phenylmethoxycarbonylamino)pentanedioic acid; dicyclohexylazanium Openeye Name: 2-(benzyloxycarbonylamino)-4-tert-butyl-pentanedioic acid; dicyclohexylammonium CAS Name: 2-tert-butyl-4-(phenylmethoxycarbonylamino)pentanedioic acid; dicyclohexylammonium IUPAC Name: 2-tert-butyl-4-(phenylmethoxycarbonylamino)pentanedioic acid; dicyclohexylazanium Traditional Name: 2-(benzyloxycarbonylamino)-4-tert-butyl-glutaric acid; dicyclohexylammonium Formula: C29H47N2O6+ MolecularWeight: 519.69328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)(C)C(CC(C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C17H23NO6.C12H23N/c1-17(2,3)12(14(19)20)9-13(15(21)22)18-16(23)24-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12-13H,9-10H2,1-3H3,(H,18,23)(H,19,20)(H,21,22);11-13H,1-10H2/p+1