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

Systemtic Name: (2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-3-phenyl-propionic acid Formula: C19H19ClN6O3 MolecularWeight: 414.84556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CC1N(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C19H19ClN6O3/c20-19-24-16-15(21-10-22-16)17(25-19)26(12-6-7-12)9-14(27)23-13(18(28)29)8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,23,27)(H,28,29)(H,21,22,24,25)/t13-/m0/s1