tert-butyl 4-[[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[[(2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]prolyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H38N4O4 MolecularWeight: 458.59362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C25H38N4O4/c1-25(2,3)33-24(32)28-14-11-19(12-15-28)17-27-22(30)21-10-7-13-29(21)23(31)20(26)16-18-8-5-4-6-9-18/h4-6,8-9,19-21H,7,10-17,26H2,1-3H3,(H,27,30)/t20-,21+/m1/s1