(phenylmethyl) (2R)-2-(phenylmethoxycarbonylamino)-3-[4-(7H-purin-6-yl)phenyl]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-(phenylmethoxycarbonylamino)-3-[4-(7H-purin-6-yl)phenyl]propanoate Openeye Name: benzyl (2R)-2-(benzyloxycarbonylamino)-3-[4-(7H-purin-6-yl)phenyl]propanoate CAS Name: (2R)-2-(phenylmethoxycarbonylamino)-3-[4-(7H-purin-6-yl)phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[4-(7H-purin-6-yl)phenyl]propanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-[4-(7H-purin-6-yl)phenyl]propionic acid benzyl ester Formula: C29H25N5O4 MolecularWeight: 507.5399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)C3=C4C(=NC=N3)N=CN4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CC=C(C=C2)C3=C4C(=NC=N3)N=CN4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H25N5O4/c35-28(37-16-21-7-3-1-4-8-21)24(34-29(36)38-17-22-9-5-2-6-10-22)15-20-11-13-23(14-12-20)25-26-27(32-18-30-25)33-19-31-26/h1-14,18-19,24H,15-17H2,(H,34,36)(H,30,31,32,33)/t24-/m1/s1