1SO

(3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid


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Chemical Component Summary

Name(3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Identifiers(3S,4R,5R)-4-acetamido-3-[4-(2-oxidanylpropan-2-yl)-1,2,3-triazol-1-yl]-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid
FormulaC19 H30 N4 O5
Molecular Weight394.465
TypeNON-POLYMER
Isomeric SMILESCCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)C(C)(C)O)C(=O)O
InChIInChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,13-15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t14-,15+,17+/m0/s1
InChIKeySHZLGTIBAVWRQZ-ZMSDIMECSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count3
Bond Count59
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 49787982
ChEMBL CHEMBL1270232