Catalog Number:
AG009CBX
Chemical Name:
Gsk2330672
CAS Number:
1345982-69-5
Molecular Formula:
C28H38N2O7S
Molecular Weight:
546.6755
MDL Number:
MFCD28386358
IUPAC Name:
3-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1λ6,4-benzothiazepin-8-yl]methylamino]pentanedioic acid
InChI:
InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
InChI Key:
CZGVOBIGEBDYTP-VSGBNLITSA-N
SMILES:
CCCC[C@@]1(CC)N[C@H](c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)CNC(CC(=O)O)CC(=O)O
UNII:
386012Z45S
