1-[3,3-dicyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,3-dicyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(benzyloxycarbonylamino)-3,3-dicyclohexyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3,3-dicyclohexyl-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3,3-dicyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzyloxycarbonylamino)-3,3-dicyclohexyl-propanoyl]proline Formula: C28H40N2O5 MolecularWeight: 484.6276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)C(C(=O)N3CCCC3C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)C(C(=O)N3CCCC3C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H40N2O5/c31-26(30-18-10-17-23(30)27(32)33)25(29-28(34)35-19-20-11-4-1-5-12-20)24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1,4-5,11-12,21-25H,2-3,6-10,13-19H2,(H,29,34)(H,32,33)