Name: Name:1-[[(6R,7R)-7-[[(2Z)-2-(2-AMino-4-thiazolyl)-2-[[2-(1,1-diMethylethoxy)-1,1-diMethyl-2-oxoethoxy]iMino]acetyl]aMino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]Methyl]pyridiniuM Inner Salt
Brand: Angene
SKU: AG008WNH
Rating: 90 (10 reviews)

1-[[(6R,7R)-7-[[(2Z)-2-(2-AMino-4-thiazolyl)-2-[[2-(1,1-diMethylethoxy)-1,1-diMethyl-2-oxoethoxy]iMino]acetyl]aMino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]Methyl]pyridiniuM Inner Salt

CAS No.:

102772-66-7

Catalog Number:

AG008WNH

Molecular Formula:

Molecular Weight:

Catalog Number:

AG008WNH

Chemical Name:

CAS Number:

102772-66-7

MDL Number:

MFCD21363485

IUPAC Name:

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

InChI:

InChI=1S/C26H30N6O7S2/c1-25(2,3)38-23(37)26(4,5)39-30-16(15-13-41-24(27)28-15)19(33)29-17-20(34)32-18(22(35)36)14(12-40-21(17)32)11-31-9-7-6-8-10-31/h6-10,13,17,21H,11-12H2,1-5H3,(H3-,27,28,29,33,35,36)/b30-16-/t17-,21-/m1/s1

InChI Key:

KRTGQDGIPNXUGP-ZLQBWVSZSA-N

EC Number:

600-349-4

UNII:

31XYW5AKQK

Complexity:

1130

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

602.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

602.681g/mol

Monoisotopic Mass:

602.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

234A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8