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

*Links on SpectraBase are not permalinks.
Benzyl 5-[(benzyloxy)carbonyl]-11-[(benzylsulfanyl)methyl]-14-methyl-3,9,12-trioxo-1-phenyl-2-oxa-4,10,13-triazapentadecan-15-oate
SpectraBase Compound ID 2QQkKpq6cRV
InChI InChI=1S/C41H45N3O8S/c1-30(39(47)50-25-31-15-6-2-7-16-31)42-38(46)36(29-53-28-34-21-12-5-13-22-34)43-37(45)24-14-23-35(40(48)51-26-32-17-8-3-9-18-32)44-41(49)52-27-33-19-10-4-11-20-33/h2-13,15-22,30,35-36H,14,23-29H2,1H3,(H,42,46)(H,43,45)(H,44,49)
InChIKey XZLPHVDHZTZURZ-UHFFFAOYSA-N
Mol Weight 739.9 g/mol
Molecular Formula C41H45N3O8S
Exact Mass 739.292737 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 Jsb1Exdehsy
Name Benzyl 5-[(benzyloxy)carbonyl]-11-[(benzylsulfanyl)methyl]-14-methyl-3,9,12-trioxo-1-phenyl-2-oxa-4,10,13-triazapentadecan-15-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H45N3O8S
InChI InChI=1S/C41H45N3O8S/c1-30(39(47)50-25-31-15-6-2-7-16-31)42-38(46)36(29-53-28-34-21-12-5-13-22-34)43-37(45)24-14-23-35(40(48)51-26-32-17-8-3-9-18-32)44-41(49)52-27-33-19-10-4-11-20-33/h2-13,15-22,30,35-36H,14,23-29H2,1H3,(H,42,46)(H,43,45)(H,44,49)
InChIKey XZLPHVDHZTZURZ-UHFFFAOYSA-N
Molecular Weight 739.884 g/mol
SMILES N(C(C(NC(C(OCc1ccccc1)=O)C)=O)CSCc1ccccc1)C(CCCC(C(OCc1ccccc1)=O)NC(=O)OCc1ccccc1)=O
SPLASH splash10-0006-9300000000-5fb0e14c8e6c33730b3f
Synonyms (phenylmethyl) 6-oxidanylidene-6-[[1-oxidanylidene-1-[(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)amino]-3-(phenylmethylsulfanyl)propan-2-yl]amino]-2-(phenylmethoxycarbonylamino)hexanoate 6-Oxo-6-[[1-oxo-1-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]-3-(phenylmethylthio)propan-2-yl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester 6-[[2-[(2-benzoxy-2-keto-1-methyl-ethyl)amino]-1-[(benzylthio)methyl]-2-keto-ethyl]amino]-2-(benzyloxycarbonylamino)-6-keto-hexanoic acid benzyl ester benzyl 2-(benzyloxycarbonylamino)-6-[[2-[(2-benzyloxy-1-methyl-2-oxo-ethyl)amino]-1-(benzylsulfanylmethyl)-2-oxo-ethyl]amino]-6-oxo-hexanoate benzyl 6-[[3-benzylsulfanyl-1-oxo-1-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]propan-2-yl]amino]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate
Wiley ID 1486313