For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Oxa-4,7,10-triazacyclododecane, cyclic peptide deriv.
SpectraBase Compound ID 5FG5KlaxYB7
InChI InChI=1S/C20H27N3O5/c1-18(2)15(25)22-19(3,4)16(26)23-20(5,6)17(27)28-13(14(24)21-18)12-10-8-7-9-11-12/h7-11,13H,1-6H3,(H,21,24)(H,22,25)(H,23,26)
InChIKey XICZJFVEZKCFOH-UHFFFAOYSA-N
Mol Weight 389.45 g/mol
Molecular Formula C20H27N3O5
Exact Mass 389.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4RaxAfIfwxj
Name 1-Oxa-4,7,10-triazacyclododecane, cyclic peptide deriv.
CAS Registry Number 112142-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N3O5
InChI InChI=1S/C20H27N3O5/c1-18(2)15(25)22-19(3,4)16(26)23-20(5,6)17(27)28-13(14(24)21-18)12-10-8-7-9-11-12/h7-11,13H,1-6H3,(H,21,24)(H,22,25)(H,23,26)
InChIKey XICZJFVEZKCFOH-UHFFFAOYSA-N
Molecular Weight 389.452 g/mol
SMILES N1C(C(NC(C)(C)C(NC(C(OC(C1=O)c1ccccc1)=O)(C)C)=O)=O)(C)C
SPLASH splash10-0a4l-9100000000-de10c74f17f86b9a66ec
Source of Spectrum H-70-336-18
Synonyms Alanine, N-[N-[N-(hydroxyphenylacetyl)-2-methylalanyl]-2-methylalanyl]-2-methyl-, .kappa.-lactone, (.+-.)- (+-)-3,3,6,6,9,9-hexamethyl-12-phenyl-1-oxa-4,7,10-triazacyclododecan-2,5,8,11-tetrone 3,3,6,6,9,9-hexamethyl-12-phenyl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone
Wiley ID 1364327