cyclohexylazanium; 1-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: cyclohexylazanium; 1-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid; cyclohexylammonium CAS Name: cyclohexylammonium; 1-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: cyclohexylazanium; 1-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]proline; cyclohexylammonium Formula: C25H40N3O5+ MolecularWeight: 462.6022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2.C1CCC(CC1)[NH3+]

Isomeric SMILES

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2.C1CCC(CC1)[NH3+]

InChI

InChI=1S/C19H26N2O5.C6H13N/c1-3-13(2)16(17(22)21-11-7-10-15(21)18(23)24)20-19(25)26-12-14-8-5-4-6-9-14;7-6-4-2-1-3-5-6/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,20,25)(H,23,24);6H,1-5,7H2/p+1