2-[(4-azanylcyclohexyl)carbonylamino]-3-phenyl-propanoic acid; 2-azanylpentanoic acid

Systemtic Name: 2-[(4-azanylcyclohexyl)carbonylamino]-3-phenyl-propanoic acid; 2-azanylpentanoic acid Openeye Name: 2-[(4-aminocyclohexanecarbonyl)amino]-3-phenyl-propanoic acid; 2-aminopentanoic acid CAS Name: 2-[[(4-aminocyclohexyl)-oxomethyl]amino]-3-phenylpropanoic acid; 2-aminopentanoic acid IUPAC Name: 2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid; 2-aminopentanoic acid Traditional Name: 2-[(4-aminocyclohexanecarbonyl)amino]-3-phenyl-propionic acid; 2-aminovaleric acid Formula: C21H33N3O5 MolecularWeight: 407.50382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3.C5H11NO2/c17-13-8-6-12(7-9-13)15(19)18-14(16(20)21)10-11-4-2-1-3-5-11;1-2-3-4(6)5(7)8/h1-5,12-14H,6-10,17H2,(H,18,19)(H,20,21);4H,2-3,6H2,1H3,(H,7,8)