(2S,5R,6R)-6-{[(2R)-2-{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - (3S,5R)-3-methyl-7-oxo-3-(1H-1,2 ,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide (1:1)

More details:

• Systematic name

  (2S,5R,6R)-6-{[(2R)-2-{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - (3S,5R)-3-methyl-7-oxo-3-(1H-1,2 ,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide (1:1)

• SMILES

  CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.C[C@@]1(C(N2[C@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3

• Std. InChi

  InChI=1S/C23H27N5O7S.C10H12N4O5S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);2-3,7-8H,4-5H2,1H3,(H,16,17)/t13-,14-,15+,20-;7-,8?,10+/m11/s1

• Std. InChIKey

  LITBAYYWXZOHAW-YOCRFJHISA-N

• Cite this record

  CSID:13110320, http://www.chemspider.com/Chemical-Structure.13110320.html (accessed 05:27, Apr 20, 2024)