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Allyl 2-[(N-(N'-(tert-butoxycarbonyl)-3-(3-chloro-4-methoxyphenyl)-D-alanino)-3'-Amino-2'-methylpropanoyl)oxy]-4-methylpentanoate

View entire compound with spectra: 1 MS (GC)

Allyl 2-[(N-(N'-(tert-butoxycarbonyl)-3-(3-chloro-4-methoxyphenyl)-D-alanino)-3'-Amino-2'-methylpropanoyl)oxy]-4-methylpentanoate
SpectraBase Compound ID B5dEuEXPY6m
InChI InChI=1S/C28H41ClN2O8/c1-9-12-37-26(34)23(13-17(2)3)38-25(33)18(4)16-30-24(32)21(31-27(35)39-28(5,6)7)15-19-10-11-22(36-8)20(29)14-19/h9-11,14,17-18,21,23H,1,12-13,15-16H2,2-8H3,(H,30,32)(H,31,35)/t18-,21-,23+/m1/s1
InChIKey BWQYELJGOLRBNU-AAIMPIBUSA-N
Mol Weight 569.1 g/mol
Molecular Formula C28H41ClN2O8
Exact Mass 568.255144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aXSxzIQySh
Name Allyl 2-[(N-(N'-(tert-butoxycarbonyl)-3-(3-chloro-4-methoxyphenyl)-D-alanino)-3'-Amino-2'-methylpropanoyl)oxy]-4-methylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41ClN2O8
InChI InChI=1S/C28H41ClN2O8/c1-9-12-37-26(34)23(13-17(2)3)38-25(33)18(4)16-30-24(32)21(31-27(35)39-28(5,6)7)15-19-10-11-22(36-8)20(29)14-19/h9-11,14,17-18,21,23H,1,12-13,15-16H2,2-8H3,(H,30,32)(H,31,35)/t18-,21-,23+/m1/s1
InChIKey BWQYELJGOLRBNU-AAIMPIBUSA-N
Molecular Weight 569.095 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](C(NC[C@](C(O[C@](C(=O)OCC=C)(CC(C)C)[H])=O)(C)[H])=O)(Cc1cc(Cl)c(cc1)OC)[H]
SPLASH splash10-0udl-0913820000-3855eab9430c4707b41a
Source of Spectrum J-61-6899-23
Synonyms (S)-2-{(R)-3-[(R)-2-tert-Butoxycarbonylamino-3-(3-chloro-4-methoxy-phenyl)-propionylamino]-2-methyl-propionyloxy}-4-methyl-pentanoic acid allyl ester 1-[(allyloxy)carbonyl]-3-methylbutyl 3-amino-5-[(tert-butoxycarbonyl)amino]-6-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxohexanoate (2S)-2-[(2R)-3-[[(2R)-3-(3-chloro-4-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-2-methyl-1-oxopropoxy]-4-methylpentanoic acid prop-2-enyl ester Prop-2-enyl (2S)-2-[(2R)-3-[[(2R)-3-(3-chloro-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-methylpropanoyl]oxy-4-methylpentanoate Allyl (2S)-2-[(2R)-3-[[(2R)-2-(tert-butoxycarbonylamino)-3-(3-chloro-4-methoxy-phenyl)propanoyl]amino]-2-methyl-propanoyl]oxy-4-methyl-pentanoate Prop-2-enyl (2S)-2-[(2R)-3-[[(2R)-3-(3-chloranyl-4-methoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-methyl-propanoyl]oxy-4-methyl-pentanoate
Wiley ID 1407488