(3R)-4-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]butanoic acid

Systemtic Name: (3R)-4-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]butanoic acid Openeye Name: (3R)-4-phenyl-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]butanoic acid CAS Name: (3R)-3-[[oxo-[(3R)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-4-phenylbutanoic acid IUPAC Name: (3R)-4-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid Traditional Name: (3R)-4-phenyl-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]butyric acid Formula: C24H35N3O4 MolecularWeight: 429.5524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CCC2CCNCC2)C(=O)N[C@H](CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C24H35N3O4/c28-22(9-8-18-10-12-25-13-11-18)27-14-4-7-20(17-27)24(31)26-21(16-23(29)30)15-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,25H,4,7-17H2,(H,26,31)(H,29,30)/t20-,21-/m1/s1