WSA

5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE


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Chemical Component Summary

Name5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE
Identifiers[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl N-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]sulfamate
FormulaC21 H24 N8 O7 S
Molecular Weight532.53
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N
InChIInChI=1S/C21H24N8O7S/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)20(32)28-37(33,34)35-7-14-16(30)17(31)21(36-14)29-9-27-15-18(23)25-8-26-19(15)29/h1-4,6,8-9,12,14,16-17,21,24,30-31H,5,7,22H2,(H,28,32)(H2,23,25,26)/t12-,14+,16+,17+,21+/m0/s1
InChIKeyRQAVKMXDGHWLGD-BFNSABJLSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count5
Bond Count65
Aromatic Bond Count20

Related Resource References

Resource NameReference
PubChem 24771756, 44593542
ChEMBL CHEMBL1163060