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(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1,3-benzoxazol-2-yl]butanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1,3-benzoxazol-2-yl]butanoic acid methyl ester
SpectraBase Compound ID EiRosVfNWS9
InChI InChI=1S/C41H50N4O10/c1-40(2,3)54-37(48)31(44-38(49)52-25-27-17-12-9-13-18-27)24-28-19-14-20-32-34(28)45-33(53-32)22-21-29(36(47)51-7)42-35(46)30(23-26-15-10-8-11-16-26)43-39(50)55-41(4,5)6/h8-20,29-31H,21-25H2,1-7H3,(H,42,46)(H,43,50)(H,44,49)/t29-,30-,31-/m0/s1
InChIKey UGYMGPAKMHLKBK-CHQNGUEUSA-N
Mol Weight 758.9 g/mol
Molecular Formula C41H50N4O10
Exact Mass 758.352694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5zo9QFwPrj
Name (2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1,3-benzoxazol-2-yl]butanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H50N4O10
InChI InChI=1S/C41H50N4O10/c1-40(2,3)54-37(48)31(44-38(49)52-25-27-17-12-9-13-18-27)24-28-19-14-20-32-34(28)45-33(53-32)22-21-29(36(47)51-7)42-35(46)30(23-26-15-10-8-11-16-26)43-39(50)55-41(4,5)6/h8-20,29-31H,21-25H2,1-7H3,(H,42,46)(H,43,50)(H,44,49)/t29-,30-,31-/m0/s1
InChIKey UGYMGPAKMHLKBK-CHQNGUEUSA-N
Molecular Weight 758.869 g/mol
SMILES N([C@@](Cc1c2c(oc(CC[C@@](C(=O)OC)(NC([C@](Cc3ccccc3)(NC(=O)OC(C)(C)C)[H])=O)[H])n2)ccc1)(C(=O)OC(C)(C)C)[H])C(=O)OCc1ccccc1
SPLASH splash10-006y-7903010000-1709f193ca2cc828e8a6
Source of Spectrum J-67-4889-19
Synonyms (2S)-4-[4-[(2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-3-keto-propyl]-1,3-benzoxazol-2-yl]-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]butyric acid methyl ester Methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-4-[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1,3-benzoxazol-2-yl]butanoate Methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1,3-benzoxazol-2-yl]butanoate
Wiley ID 1570328