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L-Leucine, N-[N-[N-[N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-L-isoleucyl]-L-leuc yl]-L-isoleucyl]-, methyl ester
SpectraBase Compound ID DNHD9RWZsyc
InChI InChI=1S/C39H65N5O8/c1-12-26(9)32(44-35(46)30(20-24(5)6)42-39(50)52-22-28-17-15-14-16-18-28)36(47)40-29(19-23(3)4)34(45)43-33(27(10)13-2)37(48)41-31(21-25(7)8)38(49)51-11/h14-18,23-27,29-33H,12-13,19-22H2,1-11H3,(H,40,47)(H,41,48)(H,42,50)(H,43,45)(H,44,46)/t26-,27-,29-,30-,31-,32-,33-/m0/s1
InChIKey DYADLRIMMZMCFE-UBIPSPQDSA-N
Mol Weight 732.0 g/mol
Molecular Formula C39H65N5O8
Exact Mass 731.483314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bscSmqsYuh
Name L-Leucine, N-[N-[N-[N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-L-isoleucyl]-L-leuc yl]-L-isoleucyl]-, methyl ester
Alternate Name(s) Methyl (5S,8S,11S,14S,17S)-5,11,17-triisobutyl-8,14-bis[(1S)-1-methylpropyl]-3,6,9,12,15-pentaoxo-1-phenyl-2-oxa-4,7,10,13,16-pentaazaoctadecan-18-oate Methyl ester of N-carbobenzoxyleucyl-isoleucyl-leucyl-isoleucyl-leucine
CAS Registry Number 76715-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H65N5O8
InChI InChI=1S/C39H65N5O8/c1-12-26(9)32(44-35(46)30(20-24(5)6)42-39(50)52-22-28-17-15-14-16-18-28)36(47)40-29(19-23(3)4)34(45)43-33(27(10)13-2)37(48)41-31(21-25(7)8)38(49)51-11/h14-18,23-27,29-33H,12-13,19-22H2,1-11H3,(H,40,47)(H,41,48)(H,42,50)(H,43,45)(H,44,46)/t26-,27-,29-,30-,31-,32-,33-/m0/s1
InChIKey DYADLRIMMZMCFE-UBIPSPQDSA-N
Molecular Weight 731.976 g/mol
SMILES N(C([C@@](NC([C@@](NC([C@@](NC([C@@](NC(=O)OCc1ccccc1)(CC(C)C)[H])=O)([C@](CC)(C)[H])[H])=O)(CC(C)C)[H])=O)([C@](CC)(C)[H])[H])=O)[C@](C(=O)OC)(CC(C)C)[H]
SPLASH splash10-00kr-4249000000-6809d5aa9223106805f0
Source of Spectrum KO-7-155-7
Wiley ID 1415929