MXF

(2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid



Chemical Component Summary

Name(2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid
Synonymspenam sulfone SA3-53, open form
Identifiers(2S,3R)-4-(2-azanylethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-[(R)-oxidanylsulfinyl]butanoic acid
FormulaC17 H22 N4 O7 S
Molecular Weight426.444
TypeNON-POLYMER
Isomeric SMILESC[C@](COC(=O)NCCN)([C@H](C(=O)O)Nc1c(cc2n1cccc2)C=O)[S@](=O)O
InChIInChI=1S/C17H22N4O7S/c1-17(29(26)27,10-28-16(25)19-6-5-18)13(15(23)24)20-14-11(9-22)8-12-4-2-3-7-21(12)14/h2-4,7-9,13,20H,5-6,10,18H2,1H3,(H,19,25)(H,23,24)(H,26,27)/t13-,17-/m0/s1
InChIKeyUGXGYKKZKHIUJW-GUYCJALGSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count2
Bond Count52
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 49867347