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Methyl N(.alpha.)-[rac-(Z)-5'-(t-butyl)oxycarbonyl-3,4-dihydro-3',4,4,4'-tetramethyl-5(1H)-pyrromethenon-3-ylacetyl]-N(.epsilon.)-benzyloxycarbonyl-(S)-lysine
SpectraBase Compound ID AAkFrmuODzQ
InChI InChI=1S/C35H48N4O8/c1-21-22(2)29(31(42)47-34(3,4)5)38-26(21)19-27-24(35(6,7)32(43)39-27)18-28(40)37-25(30(41)45-8)16-12-13-17-36-33(44)46-20-23-14-10-9-11-15-23/h9-11,14-15,19,24-25,38H,12-13,16-18,20H2,1-8H3,(H,36,44)(H,37,40)(H,39,43)/b27-19-
InChIKey UQLKCQARUFXGIS-DIBXZPPDSA-N
Mol Weight 652.8 g/mol
Molecular Formula C35H48N4O8
Exact Mass 652.347215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RCepqoarEE
Name Methyl N(.alpha.)-[rac-(Z)-5'-(t-butyl)oxycarbonyl-3,4-dihydro-3',4,4,4'-tetramethyl-5(1H)-pyrromethenon-3-ylacetyl]-N(.epsilon.)-benzyloxycarbonyl-(S)-lysine
CAS Registry Number 114605-28-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H48N4O8
InChI InChI=1S/C35H48N4O8/c1-21-22(2)29(31(42)47-34(3,4)5)38-26(21)19-27-24(35(6,7)32(43)39-27)18-28(40)37-25(30(41)45-8)16-12-13-17-36-33(44)46-20-23-14-10-9-11-15-23/h9-11,14-15,19,24-25,38H,12-13,16-18,20H2,1-8H3,(H,36,44)(H,37,40)(H,39,43)/b27-19-
InChIKey UQLKCQARUFXGIS-DIBXZPPDSA-N
Molecular Weight 652.789 g/mol
SMILES [nH]1c(c(c(c1\C=C/1C(CC(NC(CCCCNC(=O)OCc2ccccc2)C(=O)OC)=O)C(C)(C)C(N1)=O)C)C)C(OC(C)(C)C)=O
SPLASH splash10-0a4l-9220000000-1dfa953ceaf59fc57e0d
Source of Spectrum AH-118-982-8
Synonyms Methyl n(.alpha.)[rac-(Z)-5'-(t-butyl)oxycarbonyl-3,4-dihydro-3',4,4,4'-tetramethyl-5(1H)-pyrromethenon-3-ylacetyl]-n(.epsilon.)-benzyloxycarbonyl-(S)-2'',6''-diaminohexanoate tert-Butyl 5-{(Z)-[3-(2-{[5-{[(benzyloxy)carbonyl]amino}-1-(methoxycarbonyl)pentyl]amino}-2-oxoethyl)-4,4-dimethyl-5-oxo-2-pyrrolidinylidene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1413210