(2S)-2-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]propanoic acid Traditional Name: (2S)-2-[[3-[(4-methylpiperazino)methyl]benzoyl]amino]propionic acid Formula: C16H23N3O3 MolecularWeight: 305.37212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C

InChI

InChI=1S/C16H23N3O3/c1-12(16(21)22)17-15(20)14-5-3-4-13(10-14)11-19-8-6-18(2)7-9-19/h3-5,10,12H,6-9,11H2,1-2H3,(H,17,20)(H,21,22)/t12-/m0/s1