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Dibenzyl N-{trans-2-[[2'-(Acetylamino)cyclohexyl]oxy]acetyl}-L-alanyl-D-glutamate
SpectraBase Compound ID I9e1dAL519J
InChI InChI=1S/C32H41N3O8/c1-22(33-29(37)21-42-28-16-10-9-15-26(28)34-23(2)36)31(39)35(19-24-11-5-3-6-12-24)27(32(40)41)17-18-30(38)43-20-25-13-7-4-8-14-25/h3-8,11-14,22,26-28H,9-10,15-21H2,1-2H3,(H,33,37)(H,34,36)(H,40,41)/t22-,26+,27+,28+/m0/s1
InChIKey WBSRVAJXDRKAKI-YWLJMITFSA-N
Mol Weight 595.7 g/mol
Molecular Formula C32H41N3O8
Exact Mass 595.289365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DriWoK3LQMp
Name Dibenzyl N-{trans-2-[[2'-(Acetylamino)cyclohexyl]oxy]acetyl}-L-alanyl-D-glutamate
Comments Less than 3 mono-isotopic peaks
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Formula C32H41N3O8
InChI InChI=1S/C32H41N3O8/c1-22(33-29(37)21-42-28-16-10-9-15-26(28)34-23(2)36)31(39)35(19-24-11-5-3-6-12-24)27(32(40)41)17-18-30(38)43-20-25-13-7-4-8-14-25/h3-8,11-14,22,26-28H,9-10,15-21H2,1-2H3,(H,33,37)(H,34,36)(H,40,41)/t22-,26+,27+,28+/m0/s1
InChIKey WBSRVAJXDRKAKI-YWLJMITFSA-N
Molecular Weight 595.693 g/mol
SMILES N([C@](C(N([C@@](C(=O)O)(CCC(=O)OCc1ccccc1)[H])Cc1ccccc1)=O)(C)[H])C(CO[C@]1([C@](NC(=O)C)(CCCC1)[H])[H])=O
SPLASH splash10-0006-0090000000-5e4f04b5022b28611b59
Source of Spectrum F2-41-535-8
Synonyms (2R)-2-[[(2S)-2-[2-[(1R,2R)-2-acetamidocyclohexyl]oxyethanoylamino]propanoyl]-(phenylmethyl)amino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid (2R)-2-[[(2S)-2-[[2-[(1R,2R)-2-acetamidocyclohexoxy]acetyl]amino]propanoyl]-benzyl-amino]-5-benzoxy-5-keto-valeric acid (2R)-2-[[(2S)-2-[[2-[(1R,2R)-2-acetamidocyclohexoxy]acetyl]amino]propanoyl]-benzyl-amino]-5-benzyloxy-5-oxo-pentanoic acid (2R)-2-[[(2S)-2-[[2-[(1R,2R)-2-acetamidocyclohexyl]oxy-1-oxoethyl]amino]-1-oxopropyl]-(phenylmethyl)amino]-5-oxo-5-phenylmethoxypentanoic acid (2R)-2-[[(2S)-2-[[2-[(1R,2R)-2-acetamidocyclohexyl]oxyacetyl]amino]propanoyl]-benzylamino]-5-oxo-5-phenylmethoxypentanoic acid (2R)-2-[{(2S)-2-[({[(1R,2R)-2-(acetylamino)cyclohexyl]oxy}acetyl)amino]propanoyl}(benzyl)amino]-5-(benzyloxy)-5-oxopentanoic acid
Wiley ID 1599461