(phenylmethyl) (2S)-6-azanyl-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]hexaneperoxoate

Systemtic Name: (phenylmethyl) (2S)-6-azanyl-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]hexaneperoxoate Openeye Name: benzyl (2S)-6-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]hexaneperoxoate CAS Name: (2S)-6-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]hexaneperoxoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-6-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]hexaneperoxoate Traditional Name: (2S)-6-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]hexaneperoxoic acid benzyl ester Formula: C23H28ClN7O4 MolecularWeight: 501.96592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)NC(CCCCN)C(=O)OOCC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CC1N(CC(=O)N[C@@H](CCCCN)C(=O)OOCC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C23H28ClN7O4/c24-23-29-20-19(26-14-27-20)21(30-23)31(16-9-10-16)12-18(32)28-17(8-4-5-11-25)22(33)35-34-13-15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13,25H2,(H,28,32)(H,26,27,29,30)/t17-/m0/s1