(2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-3-hydroxy-propionic acid Formula: C13H15ClN6O4 MolecularWeight: 354.749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN6O4/c14-13-18-10-9(15-5-16-10)11(19-13)20(6-1-2-6)3-8(22)17-7(4-21)12(23)24/h5-7,21H,1-4H2,(H,17,22)(H,23,24)(H,15,16,18,19)/t7-/m0/s1