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L-Alanine, N-[N-[N-(2-hydroxy-3-methyl-1-oxobutyl)-5-(4-methoxyphenyl)-L-norvaly l]-DL-alanyl]-, .kappa.-lactone, (S)-
SpectraBase Compound ID Idq7h4B5vcn
InChI InChI=1S/C23H33N3O6/c1-13(2)19-22(29)26-18(8-6-7-16-9-11-17(31-5)12-10-16)21(28)24-14(3)20(27)25-15(4)23(30)32-19/h9-15,18-19H,6-8H2,1-5H3,(H,24,28)(H,25,27)(H,26,29)
InChIKey YCSXVBABZVJWMH-UHFFFAOYSA-N
Mol Weight 447.5 g/mol
Molecular Formula C23H33N3O6
Exact Mass 447.236936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D94USAwFTbx
Name L-Alanine, N-[N-[N-(2-hydroxy-3-methyl-1-oxobutyl)-5-(4-methoxyphenyl)-L-norvaly l]-DL-alanyl]-, .kappa.-lactone, (S)-
Alternate Name(s) 1-Oxa-4,7,10-triazacyclododecane, cyclic peptide deriv. 12-isopropyl-9-[3-(4-methoxyphenyl)propyl]-3,6-dimethyl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone Dihydro am-toxin 1
CAS Registry Number 65563-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33N3O6
InChI InChI=1S/C23H33N3O6/c1-13(2)19-22(29)26-18(8-6-7-16-9-11-17(31-5)12-10-16)21(28)24-14(3)20(27)25-15(4)23(30)32-19/h9-15,18-19H,6-8H2,1-5H3,(H,24,28)(H,25,27)(H,26,29)
InChIKey YCSXVBABZVJWMH-UHFFFAOYSA-N
Molecular Weight 447.532 g/mol
SMILES N1C(C(NC(C)C(NC(C(OC(C1=O)C(C)C)=O)C)=O)=O)CCCc1ccc(cc1)OC
SPLASH splash10-000x-7911000000-bb57a796bfafb3279210
Source of Spectrum KO-4-140-8
Wiley ID 1386913