(2S)-2-[[(2S)-2-[3-[2-[6-(methylamino)purin-9-yl]ethanoylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[3-[2-[6-(methylamino)purin-9-yl]ethanoylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-4-hydroxy-2-[3-[[2-[6-(methylamino)purin-9-yl]acetyl]amino]propanoylamino]-4-oxo-butanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-4-hydroxy-2-[[3-[[2-[6-(methylamino)-9-purinyl]-1-oxoethyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-4-hydroxy-2-[3-[[2-[6-(methylamino)purin-9-yl]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-4-hydroxy-4-keto-2-[3-[[2-[6-(methylamino)purin-9-yl]acetyl]amino]propanoylamino]butanoyl]amino]succinic acid Formula: C19H24N8O9 MolecularWeight: 508.44206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N8O9/c1-20-16-15-17(23-7-22-16)27(8-24-15)6-12(29)21-3-2-11(28)25-9(4-13(30)31)18(34)26-10(19(35)36)5-14(32)33/h7-10H,2-6H2,1H3,(H,21,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)(H,20,22,23)/t9-,10-/m0/s1