(2S)-2-[[4-phenyl-1-(2-piperazin-1-ylethanoyl)piperidin-4-yl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[4-phenyl-1-(2-piperazin-1-ylethanoyl)piperidin-4-yl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[4-phenyl-1-(2-piperazin-1-ylacetyl)piperidine-4-carbonyl]amino]butanedioic acid CAS Name: (2S)-2-[[oxo-[1-[1-oxo-2-(1-piperazinyl)ethyl]-4-phenyl-4-piperidinyl]methyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[4-phenyl-1-(2-piperazin-1-ylacetyl)piperidine-4-carbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[[4-phenyl-1-(2-piperazinoacetyl)isonipecotoyl]amino]succinic acid Formula: C22H30N4O6 MolecularWeight: 446.4968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)O)C(=O)CN3CCNCC3

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)CN3CCNCC3

InChI

InChI=1S/C22H30N4O6/c27-18(15-25-12-8-23-9-13-25)26-10-6-22(7-11-26,16-4-2-1-3-5-16)21(32)24-17(20(30)31)14-19(28)29/h1-5,17,23H,6-15H2,(H,24,32)(H,28,29)(H,30,31)/t17-/m0/s1