4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-[2-phenyl-1-(1H-pyrazol-5-yl)ethyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-[2-phenyl-1-(1H-pyrazol-5-yl)ethyl]amino]pentanoic acid Openeye Name: 2-[tert-butoxycarbonyl-[2-phenyl-1-(1H-pyrazol-5-yl)ethyl]amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[2-phenyl-1-(1H-pyrazol-5-yl)ethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-[2-phenyl-1-(1H-pyrazol-5-yl)ethyl]amino]pentanoic acid Traditional Name: 2-[tert-butoxycarbonyl-[2-phenyl-1-(1H-pyrazol-5-yl)ethyl]amino]-4-methyl-valeric acid Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(C(CC1=CC=CC=C1)C2=CC=NN2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)O)N(C(CC1=CC=CC=C1)C2=CC=NN2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O4/c1-15(2)13-19(20(26)27)25(21(28)29-22(3,4)5)18(17-11-12-23-24-17)14-16-9-7-6-8-10-16/h6-12,15,18-19H,13-14H2,1-5H3,(H,23,24)(H,26,27)