(2S)-2-azanyl-3-[2-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanoate

Systemtic Name: (2S)-2-azanyl-3-[2-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanoate Openeye Name: (2S)-2-amino-3-[2-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propanoate CAS Name: (2S)-2-amino-3-[2-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]propanoate IUPAC Name: (2S)-2-amino-3-[2-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]propanoate Traditional Name: (2S)-2-amino-3-[2-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propionate Formula: C13H17N6O3- MolecularWeight: 305.31248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=C2C(=N1)N(C=N2)CC(C(=O)[O-])N)CO

Isomeric SMILES

C/C(=C\CNC1=NC=C2C(=N1)N(C=N2)C[C@@H](C(=O)[O-])N)/CO

InChI

InChI=1S/C13H18N6O3/c1-8(6-20)2-3-15-13-16-4-10-11(18-13)19(7-17-10)5-9(14)12(21)22/h2,4,7,9,20H,3,5-6,14H2,1H3,(H,21,22)(H,15,16,18)/p-1/b8-2+/t9-/m0/s1