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CAS 1311385-35-9

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Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(2S)-2-amino-1-oxopropyl]amino]-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)-

Description:
Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(2S)-2-amino-1-oxopropyl]amino]-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)- is a complex organic compound characterized by its bicyclic structure, which includes a bicyclo[3.1.0] framework. This compound features two carboxylic acid functional groups, contributing to its acidity and potential for forming salts or esters. The presence of an amino group and a triazole moiety suggests biological activity, possibly indicating its role as a pharmaceutical or agrochemical agent. The stereochemistry, denoted by the (1R,2S,4R,5R,6R) configuration, implies specific spatial arrangements of atoms that can influence the compound's reactivity and interaction with biological targets. Additionally, the compound's solubility, stability, and reactivity will be influenced by its functional groups and overall molecular structure. Overall, this compound's unique characteristics make it of interest in various fields, including medicinal chemistry and materials science.
Formula:C13H17N5O5S
InChI:InChI=1S/C13H17N5O5S/c1-4(14)9(19)17-13(11(22)23)2-5(24-12-15-3-16-18-12)6-7(8(6)13)10(20)21/h3-8H,2,14H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,15,16,18)/t4-,5+,6-,7-,8-,13-/m0/s1
InChI key:InChIKey=BBGHHIUQOKQCBW-LDZWZCGGSA-N
SMILES:N(C([C@H](C)N)=O)[C@]1(C(O)=O)[C@]2([C@]([C@@H]2C(O)=O)([C@H](SC=3NC=NN3)C1)[H])[H]
Synonyms:
  • Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(2S)-2-amino-1-oxopropyl]amino]-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)-
  • (1R,2S,4R,5R,6R)-2-[((2S)-2-Aminopropanoyl)amino]-4-[(1H-1,2,4-triazol-3-yl)sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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