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(2S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
SpectraBase Compound ID 3EMZIWmSERc
InChI InChI=1S/C26H41N3O6/c1-16(2)12-20(23(30)28-22(25(32)33)14-18(5)6)27-24(31)21(13-17(3)4)29-26(34)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22H,12-15H2,1-6H3,(H,27,31)(H,28,30)(H,29,34)(H,32,33)/t20-,21-,22-/m0/s1
InChIKey XDSRQWCUDCNUER-FKBYEOEOSA-N
Mol Weight 491.6 g/mol
Molecular Formula C26H41N3O6
Exact Mass 491.299536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KqvZpQbkKrI
Name (2S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.299536046 u
Formula C26H41N3O6
InChI InChI=1S/C26H41N3O6/c1-16(2)12-20(23(30)28-22(25(32)33)14-18(5)6)27-24(31)21(13-17(3)4)29-26(34)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22H,12-15H2,1-6H3,(H,27,31)(H,28,30)(H,29,34)(H,32,33)/t20-,21-,22-/m0/s1
InChIKey XDSRQWCUDCNUER-FKBYEOEOSA-N
Molecular Weight 491.629 g/mol
SMILES C(N[C@](C(=O)O)(CC(C)C)[H])([C@@](NC([C@@](NC(=O)OCC=1C=CC=CC1)(CC(C)C)[H])=O)(CC(C)C)[H])=O