dimethyl (2S,4R)-2-piperidin-1-yl-4-[(2-piperidin-1-ylcarbonylphenyl)carbonylamino]pentanedioate

Systemtic Name: dimethyl (2S,4R)-2-piperidin-1-yl-4-[(2-piperidin-1-ylcarbonylphenyl)carbonylamino]pentanedioate Openeye Name: dimethyl (2R,4S)-2-[[2-(piperidine-1-carbonyl)benzoyl]amino]-4-(1-piperidyl)pentanedioate CAS Name: (2R,4S)-2-[[oxo-[2-[oxo(1-piperidinyl)methyl]phenyl]methyl]amino]-4-(1-piperidinyl)pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2R,4S)-2-[[2-(piperidine-1-carbonyl)benzoyl]amino]-4-piperidin-1-ylpentanedioate Traditional Name: (2R,4S)-2-[[2-(piperidine-1-carbonyl)benzoyl]amino]-4-piperidino-glutaric acid dimethyl ester Formula: C25H35N3O6 MolecularWeight: 473.5619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(C(=O)OC)N1CCCCC1)NC(=O)C2=CC=CC=C2C(=O)N3CCCCC3

Isomeric SMILES

COC(=O)[C@@H](C[C@@H](C(=O)OC)N1CCCCC1)NC(=O)C2=CC=CC=C2C(=O)N3CCCCC3

InChI

InChI=1S/C25H35N3O6/c1-33-24(31)20(17-21(25(32)34-2)27-13-7-3-8-14-27)26-22(29)18-11-5-6-12-19(18)23(30)28-15-9-4-10-16-28/h5-6,11-12,20-21H,3-4,7-10,13-17H2,1-2H3,(H,26,29)/t20-,21+/m1/s1