Analyte Name

sBADA-NH2

Molecular Formula

C22 H30 B F2 N5 O7 S

Molecular Weight

557.376

Accurate Mass

557.193

SMILES

CC1=CC(=[N+]2C1=Cc3cc(c(CCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N)n3[B-]2(F)F)S(=O)(=O)O)C

InChI

InChI=1S/C22H30BF2N5O7S/c1-12-8-13(2)29-17(12)9-14-10-18(38(34,35)36)16(30(14)23(29,24)25)6-7-19(31)27-11-15(20(26)32)28-21(33)37-22(3,4)5/h8-10,15H,6-7,11H2,1-5H3,(H2,26,32)(H,27,31)(H,28,33)(H,34,35,36)/t15-/m1/s1

IUPAC

4-[3-[[(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]amino]-3-oxopropyl]-2,2-difluoro-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene-5-sulfonic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat