(phenylmethyl) (2S)-1-[(2S,3R)-2-azanyl-3-cyclohexyloxy-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S,3R)-2-azanyl-3-cyclohexyloxy-butanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S,3R)-2-amino-3-(cyclohexoxy)butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S,3R)-2-amino-3-cyclohexyloxy-1-oxobutyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S,3R)-2-amino-3-cyclohexyloxybutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S,3R)-2-amino-3-(cyclohexoxy)butanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)N)OC3CCCCC3

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2)N)OC3CCCCC3

InChI

InChI=1S/C22H32N2O4/c1-16(28-18-11-6-3-7-12-18)20(23)21(25)24-14-8-13-19(24)22(26)27-15-17-9-4-2-5-10-17/h2,4-5,9-10,16,18-20H,3,6-8,11-15,23H2,1H3/t16-,19+,20+/m1/s1