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N-Carbobenzoxyisoleucyl-isoleucyl-isoleucine
SpectraBase Compound ID 159YQCrUDOg
InChI InChI=1S/C26H41N3O6/c1-7-16(4)20(23(30)28-22(25(32)33)18(6)9-3)27-24(31)21(17(5)8-2)29-26(34)35-15-19-13-11-10-12-14-19/h10-14,16-18,20-22H,7-9,15H2,1-6H3,(H,27,31)(H,28,30)(H,29,34)(H,32,33)/t16-,17-,18-,20-,21-,22-/m0/s1
InChIKey NSENBCMNEWFQEG-AUHDTZKSSA-N
Mol Weight 491.6 g/mol
Molecular Formula C26H41N3O6
Exact Mass 491.299536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PN6P7JTUgB
Name N-Carbobenzoxyisoleucyl-isoleucyl-isoleucine
Alternate Name(s) (5S,8S,11S)-5,8,11-tris[(1S)-1-methylpropyl]-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H41N3O6
InChI InChI=1S/C26H41N3O6/c1-7-16(4)20(23(30)28-22(25(32)33)18(6)9-3)27-24(31)21(17(5)8-2)29-26(34)35-15-19-13-11-10-12-14-19/h10-14,16-18,20-22H,7-9,15H2,1-6H3,(H,27,31)(H,28,30)(H,29,34)(H,32,33)/t16-,17-,18-,20-,21-,22-/m0/s1
InChIKey NSENBCMNEWFQEG-AUHDTZKSSA-N
Molecular Weight 491.629 g/mol
SMILES N(C([C@@](NC([C@@](NC(=O)OCc1ccccc1)([C@](CC)(C)[H])[H])=O)([C@](CC)(C)[H])[H])=O)[C@](C(=O)O)([C@](CC)(C)[H])[H]
SPLASH splash10-004l-9562100000-458f473438647dd0b58f
Source of Spectrum BS-7-153-3
Wiley ID 125524