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

Systemtic Name: cyclohexylazanium; 1-[3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[benzyloxycarbonyl(methyl)amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid; cyclohexylammonium CAS Name: cyclohexylammonium; 1-[3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: cyclohexylazanium; 1-[3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[carbobenzoxy(methyl)amino]-3-methyl-pentanoyl]proline; cyclohexylammonium Formula: C26H42N3O5+ MolecularWeight: 476.62878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5.C6H13N/c1-4-14(2)17(18(23)22-12-8-11-16(22)19(24)25)21(3)20(26)27-13-15-9-6-5-7-10-15;7-6-4-2-1-3-5-6/h5-7,9-10,14,16-17H,4,8,11-13H2,1-3H3,(H,24,25);6H,1-5,7H2/p+1