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

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[9-(phenylmethyl)purin-6-yl]propanoate Openeye Name: benzyl 3-(9-benzylpurin-6-yl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[9-(phenylmethyl)-6-purinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(9-benzylpurin-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(9-benzylpurin-6-yl)-2-(tert-butoxycarbonylamino)propionic acid benzyl ester Formula: C27H29N5O4 MolecularWeight: 487.55026

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O4/c1-27(2,3)36-26(34)31-22(25(33)35-16-20-12-8-5-9-13-20)14-21-23-24(29-17-28-21)32(18-30-23)15-19-10-6-4-7-11-19/h4-13,17-18,22H,14-16H2,1-3H3,(H,31,34)