Cas no 119672-55-8 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,(6R,7R)- (9CI))

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,(6R,7R)- (9CI) structure
119672-55-8 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,(6R,7R)- (9CI)
CAS No:119672-55-8
MF:C16H16N8O6S3
MW:512.543237686157
CID:157567
Update Time:2024-01-25

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,(6R,7R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,(6R,7R)- (9CI)
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazo
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,(6R-trans)-
    • SCE 1136
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (6R,7R)- (9CI)
    • Inchi： 1S/C16H16N8O6S3/c17-15-18-7(5-32-15)1-8(25)19-10-12(28)24-11(14(29)30)6(3-31-13(10)24)4-33-16-20-21-22-23(16)2-9(26)27/h5,10,13H,1-4H2,(H2,17,18)(H,19,25)(H,26,27)(H,29,30)/t10-,13-/m1/s1
    • InChI Key： LCRCHOOIORQARX-ZWNOBZJWSA-N
    • SMILES： N12[C@@]([H])([C@H](NC(CC3=CSC(N)=N3)=O)C1=O)SCC(CSC1N(CC(O)=O)N=NN=1)=C2C(O)=O

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 2.09±0.1 g/cm3(Predicted)
  • PSA: 52.54
  • pka: 2.52±0.10(Predicted)

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,(6R,7R)- (9CI) Related Literature

119672-55-8 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,(6R,7R)- (9CI)) Related Products

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