3-[(acetyloxy)methyl]-7-{2-[(N,N'-diisopropylcarbamimidoyl)sulfanyl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 33075-00-2

Formula: C19H28N4O6S2

SMILES: CC(C)NC(SCC(=O)NC1C2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)=NC(C)C

IUPAC: 3-[(acetyloxy)methyl]-7-(2-{[N,N'-bis(propan-2-yl)carbamimidoyl]sulfanyl}acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

InChI: InChI=1/C19H28N4O6S2/c1-9(2)20-19(21-10(3)4)31-8-13(25)22-14-16(26)23-15(18(27)28)12(6-29-11(5)24)7-30-17(14)23/h9-10,14,17H,6-8H2,1-5H3,(H,20,21)(H,22,25)(H,27,28)

Composition: C (48.29%), H (5.97%), N (11.86%), O (20.31%), S (13.57%)

Molar Mass: 472.58

Atom Count: 59

Heavy Atom Count: 31