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

Systemtic Name: (2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]propionic acid Formula: C13H15ClN6O3 MolecularWeight: 338.7496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CN(C1CC1)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CN(C1CC1)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C13H15ClN6O3/c1-6(12(22)23)17-8(21)4-20(7-2-3-7)11-9-10(16-5-15-9)18-13(14)19-11/h5-7H,2-4H2,1H3,(H,17,21)(H,22,23)(H,15,16,18,19)/t6-/m0/s1