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2,16-Dioxa-6,9,20,23-tetraazatricyclo[24.2.2.2(12,15)]dotriaconta-12,14,26,28,29,31-hexaene-5,8,19,22-tetrone, 9,23-dimethyl-7,21-bis(2-methylpropyl)-, [7S-(7R*,21R*)]-
SpectraBase Compound ID 3C8kYRAxXtk
InChI InChI=1S/C36H52N4O6/c1-25(2)23-31-35(43)39(5)19-15-27-7-11-30(12-8-27)46-22-18-34(42)38-32(24-26(3)4)36(44)40(6)20-16-28-9-13-29(14-10-28)45-21-17-33(41)37-31/h7-14,25-26,31-32H,15-24H2,1-6H3,(H,37,41)(H,38,42)/t31-,32-/m0/s1
InChIKey JCOLZHVKTUPERR-ACHIHNKUSA-N
Mol Weight 636.8 g/mol
Molecular Formula C36H52N4O6
Exact Mass 636.388685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uw0yPC34eC
Name 2,16-Dioxa-6,9,20,23-tetraazatricyclo[24.2.2.2(12,15)]dotriaconta-12,14,26,28,29,31-hexaene-5,8,19,22-tetrone, 9,23-dimethyl-7,21-bis(2-methylpropyl)-, [7S-(7R*,21R*)]-
Alternate Name(s) (7S,21S)-7,21-diisobutyl-9,23-dimethyl-2,16-dioxa-6,9,20,23-tetraazatricyclo[24.2.2.2(12,15)]dotriaconta-1(28),12,14,26,29,31-hexaene-5,8,19,22-tetrone Cyclo-(3-(4-.beta.-N-methylaminoethyl)phenyloxypropanoyl-L-leucyl)2
CAS Registry Number 68898-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H52N4O6
InChI InChI=1S/C36H52N4O6/c1-25(2)23-31-35(43)39(5)19-15-27-7-11-30(12-8-27)46-22-18-34(42)38-32(24-26(3)4)36(44)40(6)20-16-28-9-13-29(14-10-28)45-21-17-33(41)37-31/h7-14,25-26,31-32H,15-24H2,1-6H3,(H,37,41)(H,38,42)/t31-,32-/m0/s1
InChIKey JCOLZHVKTUPERR-ACHIHNKUSA-N
Molecular Weight 636.834 g/mol
SMILES N1C(CCOc2ccc(CCN(C([C@@](NC(CCOc3ccc(CCN(C([C@@]1(CC(C)C)[H])=O)C)cc3)=O)(CC(C)C)[H])=O)C)cc2)=O
SPLASH splash10-0006-9000000000-af9a78687172a04496c1
Source of Spectrum C-100-8209-0
Wiley ID 1412400