ethyl 2-[[(2S)-2-azanyl-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(2S)-2-azanyl-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoyl]amino]ethanoate Openeye Name: ethyl 2-[[(2S)-2-amino-4-[6-(benzyloxycarbonylamino)purin-9-yl]butanoyl]amino]acetate CAS Name: 2-[[(2S)-2-amino-1-oxo-4-[6-(phenylmethoxycarbonylamino)-9-purinyl]butyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-amino-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-amino-4-[6-(benzyloxycarbonylamino)purin-9-yl]butanoyl]amino]acetic acid ethyl ester Formula: C21H25N7O5 MolecularWeight: 455.4671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CCN1C=NC2=C1N=CN=C2NC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)CNC(=O)[C@H](CCN1C=NC2=C1N=CN=C2NC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H25N7O5/c1-2-32-16(29)10-23-20(30)15(22)8-9-28-13-26-17-18(24-12-25-19(17)28)27-21(31)33-11-14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11,22H2,1H3,(H,23,30)(H,24,25,27,31)/t15-/m0/s1