For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R)-2-[[(2R)-3-(benzhydrylthio)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-methyl-butyric acid benzhydryl ester
SpectraBase Compound ID HBv0a8LlpTt
InChI InChI=1S/C39H44N2O5S/c1-27(2)33(37(43)45-34(28-18-10-6-11-19-28)29-20-12-7-13-21-29)41-36(42)32(40-38(44)46-39(3,4)5)26-47-35(30-22-14-8-15-23-30)31-24-16-9-17-25-31/h6-25,27,32-35H,26H2,1-5H3,(H,40,44)(H,41,42)/t32-,33+/m0/s1
InChIKey DUVXRWLDKLVPEF-JHOUSYSJSA-N
Mol Weight 652.9 g/mol
Molecular Formula C39H44N2O5S
Exact Mass 652.297094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B56Cb5KyZb5
Name (2R)-2-[[(2R)-3-(benzhydrylthio)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-methyl-butyric acid benzhydryl ester
CAS Registry Number 113787-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H44N2O5S
InChI InChI=1S/C39H44N2O5S/c1-27(2)33(37(43)45-34(28-18-10-6-11-19-28)29-20-12-7-13-21-29)41-36(42)32(40-38(44)46-39(3,4)5)26-47-35(30-22-14-8-15-23-30)31-24-16-9-17-25-31/h6-25,27,32-35H,26H2,1-5H3,(H,40,44)(H,41,42)/t32-,33+/m0/s1
InChIKey DUVXRWLDKLVPEF-JHOUSYSJSA-N
Molecular Weight 652.850 g/mol
SMILES N([C@@](C(OC(c1ccccc1)c1ccccc1)=O)(C(C)C)[H])C([C@@](NC(OC(C)(C)C)=O)(CSC(c1ccccc1)c1ccccc1)[H])=O
SPLASH splash10-014i-0900000000-ce41b4cee32293c652b8
Source of Spectrum F-43-2573-16
Synonyms (2R)-2-[[(2R)-3-[(diphenylmethyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid (diphenylmethyl) ester (diphenylmethyl) (2R)-2-[[(2R)-3-(diphenylmethyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methyl-butanoate benzhydryl (2R)-2-[[(2R)-3-benzhydrylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate
Wiley ID 1413226