2-azanyl-3-[4-[[4-methyl-1-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[[4-methyl-1-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoic acid Openeye Name: 2-amino-3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-4-methyl-benzimidazol-2-yl]amino]-1-piperidyl]propanoic acid CAS Name: 2-amino-3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-2-benzimidazolyl]amino]-1-piperidinyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoic acid Traditional Name: 2-amino-3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-4-methyl-benzimidazol-2-yl]amino]piperidino]propionic acid Formula: C23H30N6O3 MolecularWeight: 438.5227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(C(=O)O)N)CC4=C(C=CC(=N4)C)O

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(C(=O)O)N)CC4=C(C=CC(=N4)C)O

InChI

InChI=1S/C23H30N6O3/c1-14-4-3-5-19-21(14)27-23(29(19)13-18-20(30)7-6-15(2)25-18)26-16-8-10-28(11-9-16)12-17(24)22(31)32/h3-7,16-17,30H,8-13,24H2,1-2H3,(H,26,27)(H,31,32)