3-azanylpropanoic acid; (phenylmethyl) 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: 3-azanylpropanoic acid; (phenylmethyl) 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: 3-aminopropanoic acid; benzyl 2-(tert-butoxycarbonylamino)-4-methyl-pentanoate CAS Name: 3-aminopropanoic acid; 4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: 3-aminopropanoic acid; benzyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: 3-aminopropionic acid; 2-(tert-butoxycarbonylamino)-4-methyl-valeric acid benzyl ester Formula: C21H34N2O6 MolecularWeight: 410.50446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C.C(CN)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C.C(CN)C(=O)O

InChI

InChI=1S/C18H27NO4.C3H7NO2/c1-13(2)11-15(19-17(21)23-18(3,4)5)16(20)22-12-14-9-7-6-8-10-14;4-2-1-3(5)6/h6-10,13,15H,11-12H2,1-5H3,(H,19,21);1-2,4H2,(H,5,6)