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

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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUoAOXEXev2
Name (2S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
Alternate Name(s) (2S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-valeric acid (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxopentyl]amino]pentanoic acid (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid
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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 N(C([C@@](NC([C@@](NC(=O)OCc1ccccc1)(CC(C)C)[H])=O)(CC(C)C)[H])=O)[C@](C(=O)O)(CC(C)C)[H]
SPLASH splash10-004u-9751000000-390c65f78438eed4f38f
Source of Spectrum BS-7-153-5
Wiley ID 1397400