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

Systemtic Name: 2-(cyclohexylamino)-1-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]-2-(cyclohexylamino)pyrrolidine-2-carboxylic acid CAS Name: 2-(cyclohexylamino)-1-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(cyclohexylamino)-1-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]-2-(cyclohexylamino)proline Formula: C25H37N3O5 MolecularWeight: 459.57838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1(C(=O)O)NC2CCCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)N1CCCC1(C(=O)O)NC2CCCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H37N3O5/c1-3-18(2)21(26-24(32)33-17-19-11-6-4-7-12-19)22(29)28-16-10-15-25(28,23(30)31)27-20-13-8-5-9-14-20/h4,6-7,11-12,18,20-21,27H,3,5,8-10,13-17H2,1-2H3,(H,26,32)(H,30,31)