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L-Leucine, N-[N-(N-acetyl-L-.alpha.-glutamyl)-O-(1,1-dimethylethyl)-L-seryl]-, 5-(1,1-dimethylethyl) 1-methyl ester
SpectraBase Compound ID LJHYbGLbSje
InChI InChI=1S/C25H45N3O8/c1-15(13-24(3,4)5)12-18(23(34)35-9)27-22(33)19(14-36-25(6,7)8)28-21(32)17(26-16(2)29)10-11-20(30)31/h15,17-19H,10-14H2,1-9H3,(H,26,29)(H,27,33)(H,28,32)(H,30,31)/t15?,17-,18-,19-/m0/s1
InChIKey NGBGPEBGTCTSIA-SFJQHFOJSA-N
Mol Weight 515.6 g/mol
Molecular Formula C25H45N3O8
Exact Mass 515.320665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LlDj6qmflA
Name L-Leucine, N-[N-(N-acetyl-L-.alpha.-glutamyl)-O-(1,1-dimethylethyl)-L-seryl]-, 5-(1,1-dimethylethyl) 1-methyl ester
CAS Registry Number 82602-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H45N3O8
InChI InChI=1S/C25H45N3O8/c1-15(13-24(3,4)5)12-18(23(34)35-9)27-22(33)19(14-36-25(6,7)8)28-21(32)17(26-16(2)29)10-11-20(30)31/h15,17-19H,10-14H2,1-9H3,(H,26,29)(H,27,33)(H,28,32)(H,30,31)/t15?,17-,18-,19-/m0/s1
InChIKey NGBGPEBGTCTSIA-SFJQHFOJSA-N
Molecular Weight 515.648 g/mol
SMILES N(C([C@](CCC(=O)O)(NC(=O)C)[H])=O)[C@](C(N[C@](C(=O)OC)(CC(CC(C)(C)C)C)[H])=O)(COC(C)(C)C)[H]
SPLASH splash10-0006-0091000000-ab34578d855324f14688
Source of Spectrum B-40-269-20
Synonyms (4S)-4-(acetylamino)-5-[((1S)-1-(tert-butoxymethyl)-2-{[(1S)-1-(methoxycarbonyl)-3,5,5-trimethylhexyl]amino}-2-oxoethyl)amino]-5-oxopentanoic acid N.alpha.-(acetyl)-O-(t-butyl)glutamyl-O-(t-butyl)serylleucine methyl ester
Wiley ID 1401281