(phenylmethyl) (2S)-5-azanyl-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (2S)-5-azanyl-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (2S)-5-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-5-keto-valeric acid benzyl ester Formula: C22H24ClN7O4 MolecularWeight: 485.92346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)NC(CCC(=O)N)C(=O)OCC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CC1N(CC(=O)N[C@@H](CCC(=O)N)C(=O)OCC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C22H24ClN7O4/c23-22-28-19-18(25-12-26-19)20(29-22)30(14-6-7-14)10-17(32)27-15(8-9-16(24)31)21(33)34-11-13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H2,24,31)(H,27,32)(H,25,26,28,29)/t15-/m0/s1