(2S)-2-azanyl-3-[4-[5-(cyclohexylmethylamino)pyrazin-2-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[5-(cyclohexylmethylamino)pyrazin-2-yl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[5-(cyclohexylmethylamino)pyrazin-2-yl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[5-(cyclohexylmethylamino)-2-pyrazinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[5-(cyclohexylmethylamino)pyrazin-2-yl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[5-(cyclohexylmethylamino)pyrazin-2-yl]phenyl]propionic acid Formula: C20H26N4O2 MolecularWeight: 354.44604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC=C(N=C2)C3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1CCC(CC1)CNC2=NC=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(=O)O)N

InChI

InChI=1S/C20H26N4O2/c21-17(20(25)26)10-14-6-8-16(9-7-14)18-12-24-19(13-22-18)23-11-15-4-2-1-3-5-15/h6-9,12-13,15,17H,1-5,10-11,21H2,(H,23,24)(H,25,26)/t17-/m0/s1