Catalog Number:
AG00DIM5
Chemical Name:
TPPB
CAS Number:
497259-23-1
Molecular Formula:
C27H30F3N3O3
Molecular Weight:
501.5406
MDL Number:
MFCD09037558
IUPAC Name:
(2E,4E)-N-[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
InChI:
InChI=1S/C27H30F3N3O3/c1-17(2)25-26(36)32-22(16-34)15-19-14-21(12-13-23(19)33(25)3)31-24(35)7-5-4-6-18-8-10-20(11-9-18)27(28,29)30/h4-14,17,22,25,34H,15-16H2,1-3H3,(H,31,35)(H,32,36)/b6-4+,7-5+/t22-,25-/m0/s1
InChI Key:
WOLVEMPZUIFSII-IHHOKICGSA-N
SMILES:
OC[C@H]1NC(=O)[C@H](C(C)C)N(c2c(C1)cc(cc2)NC(=O)/C=C/C=C/c1ccc(cc1)C(F)(F)F)C
