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

Systemtic Name: bis(phenylmethyl) (2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]butanedioate Openeye Name: dibenzyl (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]butanedioate CAS Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]butanedioate Traditional Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]succinic acid dibenzyl ester Formula: C28H27ClN6O5 MolecularWeight: 563.00418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H27ClN6O5/c29-28-33-25-24(30-17-31-25)26(34-28)35(20-11-12-20)14-22(36)32-21(27(38)40-16-19-9-5-2-6-10-19)13-23(37)39-15-18-7-3-1-4-8-18/h1-10,17,20-21H,11-16H2,(H,32,36)(H,30,31,33,34)/t21-/m0/s1