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Methyl 5,8,11-triisobutyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate, [13C]-labelled
SpectraBase Compound ID 58Nj2gBoTMW
InChI InChI=1S/C27H43N3O6/c1-17(2)13-21(24(31)29-23(15-19(5)6)26(33)35-7)28-25(32)22(14-18(3)4)30-27(34)36-16-20-11-9-8-10-12-20/h8-12,17-19,21-23H,13-16H2,1-7H3,(H,28,32)(H,29,31)(H,30,34)/i25+1
InChIKey IUFKCGIZJPZEMT-XFDDJFSZSA-N
Mol Weight 506.6 g/mol
Molecular Formula C2613CH43N3O6
Exact Mass 506.318541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Est3kDnlnCQ
Name Methyl 5,8,11-triisobutyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate, [13C]-labelled
CAS Registry Number 66013-79-4
Comments Original formula: C26[13C]H43N3O6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43N3O6
InChI InChI=1S/C27H43N3O6/c1-17(2)13-21(24(31)29-23(15-19(5)6)26(33)35-7)28-25(32)22(14-18(3)4)30-27(34)36-16-20-11-9-8-10-12-20/h8-12,17-19,21-23H,13-16H2,1-7H3,(H,28,32)(H,29,31)(H,30,34)/i25+1
InChIKey IUFKCGIZJPZEMT-XFDDJFSZSA-N
Molecular Weight 506.648 g/mol
SMILES N([13C](C(NC(=O)OCc1ccccc1)CC(C)C)=O)C(C(NC(C(=O)OC)CC(C)C)=O)CC(C)C
SPLASH splash10-000f-9210000000-35574bac7a15d02c0088
Synonyms l-Leucine, N-[N-[N-[(phenylmethoxy)carbonyl]-l-leucyl]-l-leucyl]-, methyl ester, [¹³C]-labelled
Wiley ID 1485447