CAS 28540-82-1 Tentoxin - Analytical Products / Alfa Chemistry

CAT	APS28540821
CAS	28540-82-1
Structure
IUPAC Name	(3S,6S,12Z)-12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Molecular Weight	414.50
Molecular Formula	C22H30N4O4
Canonical SMILES	CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CNC(=O)\C(=C\c2ccccc2)\N(C)C1=O
InChI	InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1

Accurate Mass	414.2267
Format	Neat

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