(2R)-2-methyl-3-[2-[(3-piperazin-1-ylphenyl)carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: (2R)-2-methyl-3-[2-[(3-piperazin-1-ylphenyl)carbonylamino]ethanoylamino]propanoic acid Openeye Name: (2R)-2-methyl-3-[[2-[(3-piperazin-1-ylbenzoyl)amino]acetyl]amino]propanoic acid CAS Name: (2R)-2-methyl-3-[[1-oxo-2-[[oxo-[3-(1-piperazinyl)phenyl]methyl]amino]ethyl]amino]propanoic acid IUPAC Name: (2R)-2-methyl-3-[[2-[(3-piperazin-1-ylbenzoyl)amino]acetyl]amino]propanoic acid Traditional Name: (2R)-2-methyl-3-[[2-[(3-piperazinobenzoyl)amino]acetyl]amino]propionic acid Formula: C17H24N4O4 MolecularWeight: 348.39686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CNC(=O)C1=CC(=CC=C1)N2CCNCC2)C(=O)O

Isomeric SMILES

C[C@H](CNC(=O)CNC(=O)C1=CC(=CC=C1)N2CCNCC2)C(=O)O

InChI

InChI=1S/C17H24N4O4/c1-12(17(24)25)10-19-15(22)11-20-16(23)13-3-2-4-14(9-13)21-7-5-18-6-8-21/h2-4,9,12,18H,5-8,10-11H2,1H3,(H,19,22)(H,20,23)(H,24,25)/t12-/m1/s1