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

Systemtic Name: bis(phenylmethyl) (2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]pentanedioate Openeye Name: dibenzyl (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]pentanedioate CAS Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]glutaric acid dibenzyl ester Formula: C29H29ClN6O5 MolecularWeight: 577.03076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

C1CC1N(CC(=O)N[C@@H](CCC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C29H29ClN6O5/c30-29-34-26-25(31-18-32-26)27(35-29)36(21-11-12-21)15-23(37)33-22(28(39)41-17-20-9-5-2-6-10-20)13-14-24(38)40-16-19-7-3-1-4-8-19/h1-10,18,21-22H,11-17H2,(H,33,37)(H,31,32,34,35)/t22-/m0/s1