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

Systemtic Name: (2S)-6-azanyl-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]hexanoic acid Formula: C16H22ClN7O3 MolecularWeight: 395.84398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)NC(CCCCN)C(=O)O)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1CC1N(CC(=O)N[C@@H](CCCCN)C(=O)O)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H22ClN7O3/c17-16-22-13-12(19-8-20-13)14(23-16)24(9-4-5-9)7-11(25)21-10(15(26)27)3-1-2-6-18/h8-10H,1-7,18H2,(H,21,25)(H,26,27)(H,19,20,22,23)/t10-/m0/s1