2-[(4-azanylcyclohexyl)carbonylamino]-3-phenyl-propanoic acid; 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(4-azanylcyclohexyl)carbonylamino]-3-phenyl-propanoic acid; 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(4-aminocyclohexanecarbonyl)amino]-3-phenyl-propanoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(4-aminocyclohexyl)-oxomethyl]amino]-3-phenylpropanoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(4-aminocyclohexanecarbonyl)amino]-3-phenyl-propionic acid; 2-amino-3-(1H-imidazol-5-yl)propionic acid Formula: C22H31N5O5 MolecularWeight: 445.51204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

C1CC(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N

InChI

InChI=1S/C16H22N2O3.C6H9N3O2/c17-13-8-6-12(7-9-13)15(19)18-14(16(20)21)10-11-4-2-1-3-5-11;7-5(6(10)11)1-4-2-8-3-9-4/h1-5,12-14H,6-10,17H2,(H,18,19)(H,20,21);2-3,5H,1,7H2,(H,8,9)(H,10,11)