3-[[3-(1-piperidin-4-ylpentan-3-ylcarbamoyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-(1-piperidin-4-ylpentan-3-ylcarbamoyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[[1-ethyl-3-(4-piperidyl)propyl]carbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-[oxo-[1-(4-piperidinyl)pentan-3-ylamino]methyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[3-(1-piperidin-4-ylpentan-3-ylcarbamoyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[[1-ethyl-3-(4-piperidyl)propyl]carbamoyl]benzoyl]amino]propionic acid Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1CCNCC1)NC(=O)C2=CC=CC(=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CCC(CCC1CCNCC1)NC(=O)C2=CC=CC(=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C21H31N3O4/c1-2-18(7-6-15-8-11-22-12-9-15)24-21(28)17-5-3-4-16(14-17)20(27)23-13-10-19(25)26/h3-5,14-15,18,22H,2,6-13H2,1H3,(H,23,27)(H,24,28)(H,25,26)