(2S)-2-[2-[6-(methylamino)purin-9-yl]ethanoylamino]butanedioic acid

Systemtic Name: (2S)-2-[2-[6-(methylamino)purin-9-yl]ethanoylamino]butanedioic acid Openeye Name: (2S)-2-[[2-[6-(methylamino)purin-9-yl]acetyl]amino]butanedioic acid CAS Name: (2S)-2-[[2-[6-(methylamino)-9-purinyl]-1-oxoethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-[6-(methylamino)purin-9-yl]acetyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-[6-(methylamino)purin-9-yl]acetyl]amino]succinic acid Formula: C12H14N6O5 MolecularWeight: 322.27676

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C12H14N6O5/c1-13-10-9-11(15-4-14-10)18(5-16-9)3-7(19)17-6(12(22)23)2-8(20)21/h4-6H,2-3H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,13,14,15)/t6-/m0/s1