2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[9-(phenylmethyl)purin-6-yl]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[9-(phenylmethyl)purin-6-yl]propanoic acid Openeye Name: 3-(9-benzylpurin-6-yl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[9-(phenylmethyl)-6-purinyl]propanoic acid IUPAC Name: 3-(9-benzylpurin-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(9-benzylpurin-6-yl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23N5O4/c1-20(2,3)29-19(28)24-15(18(26)27)9-14-16-17(22-11-21-14)25(12-23-16)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,24,28)(H,26,27)