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N-Carbobenzoxyleucyl-isoleucyl-leucyl-isoleucyl-leucine

View entire compound with spectra: 1 MS (GC)

N-Carbobenzoxyleucyl-isoleucyl-leucyl-isoleucyl-leucine
SpectraBase Compound ID 5NJhZnf3HKX
InChI InChI=1S/C38H63N5O8/c1-11-25(9)31(43-34(45)29(19-23(5)6)41-38(50)51-21-27-16-14-13-15-17-27)35(46)39-28(18-22(3)4)33(44)42-32(26(10)12-2)36(47)40-30(37(48)49)20-24(7)8/h13-17,22-26,28-32H,11-12,18-21H2,1-10H3,(H,39,46)(H,40,47)(H,41,50)(H,42,44)(H,43,45)(H,48,49)/t25-,26-,28-,29-,30-,31-,32-/m0/s1
InChIKey DMRQMCSUNWOWNR-XSKPBZOTSA-N
Mol Weight 717.9 g/mol
Molecular Formula C38H63N5O8
Exact Mass 717.467664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75bvsb6dGwB
Name N-Carbobenzoxyleucyl-isoleucyl-leucyl-isoleucyl-leucine
Alternate Name(s) (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-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H63N5O8
InChI InChI=1S/C38H63N5O8/c1-11-25(9)31(43-34(45)29(19-23(5)6)41-38(50)51-21-27-16-14-13-15-17-27)35(46)39-28(18-22(3)4)33(44)42-32(26(10)12-2)36(47)40-30(37(48)49)20-24(7)8/h13-17,22-26,28-32H,11-12,18-21H2,1-10H3,(H,39,46)(H,40,47)(H,41,50)(H,42,44)(H,43,45)(H,48,49)/t25-,26-,28-,29-,30-,31-,32-/m0/s1
InChIKey DMRQMCSUNWOWNR-XSKPBZOTSA-N
Molecular Weight 717.949 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)O)(CC(C)C)[H]
SPLASH splash10-044r-4029800100-1cb6a53035b84491f254
Source of Spectrum BS-7-153-20
Wiley ID 128478