(2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C15H19ClN6O3S MolecularWeight: 398.86776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN6O3S/c1-26-5-4-9(14(24)25)19-10(23)6-22(8-2-3-8)13-11-12(18-7-17-11)20-15(16)21-13/h7-9H,2-6H2,1H3,(H,19,23)(H,24,25)(H,17,18,20,21)/t9-/m0/s1