Unii-97row4597G

sodium 7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: YM 13115|5-Thia-1-azabicylo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(((4-carboxy-2,3-dihydro-3-oxo-5-isothiazolyl)thio)methyl)-8-oxo-, trisodium salt, (6R-(6alpha,7beta(Z)))-|sodium;7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C21H20N6NaO10S4+
Molecular Weight	667.00214 g/mol
LogP	-2.7079
Topological Polar Surface Area	254.67 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	11
Exact Mass	667.00214
Monoisotopic Mass	667.00214
Heavy Atoms	42
Complexity	1580.5709

Chemical Identifiers

CAS Number	92071-93-7
SMILES	CC(C)(C(=O)O)O/N=C(\C1=CN=C(S1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=C(C(=O)NS4)C(=O)O)C(=O)O.[Na+]