(phenylmethyl) (2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-4-methyl-valeric acid benzyl ester Formula: C23H27ClN6O3 MolecularWeight: 470.95188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)CN(C2CC2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)CN(C2CC2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C23H27ClN6O3/c1-14(2)10-17(22(32)33-12-15-6-4-3-5-7-15)27-18(31)11-30(16-8-9-16)21-19-20(26-13-25-19)28-23(24)29-21/h3-7,13-14,16-17H,8-12H2,1-2H3,(H,27,31)(H,25,26,28,29)/t17-/m0/s1