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5,8-Ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecine-12,15(1H,11H)-dione, 2,3,3a,13,14,15a-hexahydro-1-[3-methyl-2-(methylamino)-1-oxopentyl]-13-(phenylmethyl)-
SpectraBase Compound ID 8nu5EvLW25s
InChI InChI=1S/C29H36N4O4/c1-4-19(2)25(30-3)29(36)33-17-15-24-26(33)28(35)32-23(18-21-8-6-5-7-9-21)27(34)31-16-14-20-10-12-22(37-24)13-11-20/h5-14,16,19,23-26,30H,4,15,17-18H2,1-3H3,(H,31,34)(H,32,35)/b16-14-
InChIKey KBJGCLMIERBXJA-PEZBUJJGSA-N
Mol Weight 504.6 g/mol
Molecular Formula C29H36N4O4
Exact Mass 504.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TPGXelr4kL
Name 5,8-Ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecine-12,15(1H,11H)-dione, 2,3,3a,13,14,15a-hexahydro-1-[3-methyl-2-(methylamino)-1-oxopentyl]-13-(phenylmethyl)-
CAS Registry Number 52617-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36N4O4
InChI InChI=1S/C29H36N4O4/c1-4-19(2)25(30-3)29(36)33-17-15-24-26(33)28(35)32-23(18-21-8-6-5-7-9-21)27(34)31-16-14-20-10-12-22(37-24)13-11-20/h5-14,16,19,23-26,30H,4,15,17-18H2,1-3H3,(H,31,34)(H,32,35)/b16-14-
InChIKey KBJGCLMIERBXJA-PEZBUJJGSA-N
Molecular Weight 504.631 g/mol
SMILES N(C(C(N1C2C(NC(C(N\C=C/c3ccc(OC2CC1)cc3)=O)Cc1ccccc1)=O)=O)C(CC)C)C
SPLASH splash10-0udi-2900100000-664949c3d31f74c801fe
Source of Spectrum CD-252-0-0
Wiley ID 1399593