tert-butyl (2S)-1-[2-[[(5S,7R)-3-oxidanyl-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[2-[[(5S,7R)-3-oxidanyl-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H34N2O4 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)CNC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H34N2O4/c1-19(2,3)27-18(25)16-5-4-6-23(16)17(24)12-22-20-8-14-7-15(9-20)11-21(26,10-14)13-20/h14-16,22,26H,4-13H2,1-3H3/t14-,15+,16-,20?,21?/m0/s1