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

*Links on SpectraBase are not permalinks.
L-Leucine, N-[O-(1,1-dimethylethyl)-N-[N-[(phenylmethoxy)carbonyl]-L-.alpha.-glutamyl]-L-seryl]-, 5-(1,1-dimethylethyl) 1-methyl ester
SpectraBase Compound ID ArdoffK8j1K
InChI InChI=1S/C31H49N3O9/c1-20(17-30(2,3)4)16-23(28(39)41-8)32-27(38)24(19-43-31(5,6)7)33-26(37)22(14-15-25(35)36)34-29(40)42-18-21-12-10-9-11-13-21/h9-13,20,22-24H,14-19H2,1-8H3,(H,32,38)(H,33,37)(H,34,40)(H,35,36)/t20?,22-,23-,24-/m0/s1
InChIKey ZAUSJNALAGLQEP-HQOSDTAYSA-N
Mol Weight 607.7 g/mol
Molecular Formula C31H49N3O9
Exact Mass 607.34688 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 EHha7ngQf2k
Name L-Leucine, N-[O-(1,1-dimethylethyl)-N-[N-[(phenylmethoxy)carbonyl]-L-.alpha.-glutamyl]-L-seryl]-, 5-(1,1-dimethylethyl) 1-methyl ester
CAS Registry Number 110575-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H49N3O9
InChI InChI=1S/C31H49N3O9/c1-20(17-30(2,3)4)16-23(28(39)41-8)32-27(38)24(19-43-31(5,6)7)33-26(37)22(14-15-25(35)36)34-29(40)42-18-21-12-10-9-11-13-21/h9-13,20,22-24H,14-19H2,1-8H3,(H,32,38)(H,33,37)(H,34,40)(H,35,36)/t20?,22-,23-,24-/m0/s1
InChIKey ZAUSJNALAGLQEP-HQOSDTAYSA-N
Molecular Weight 607.745 g/mol
SMILES N(C([C@](CCC(=O)O)(NC(=O)OCc1ccccc1)[H])=O)[C@](C(N[C@](C(=O)OC)(CC(CC(C)(C)C)C)[H])=O)(COC(C)(C)C)[H]
SPLASH splash10-00dr-0094670000-b0243f76b1e91194a2b7
Source of Spectrum B-40-269-18
Synonyms (4S)-4-{[(benzyloxy)carbonyl]amino}-5-[((1S)-1-(tert-butoxymethyl)-2-{[(1S)-1-(methoxycarbonyl)-3,5,5-trimethylhexyl]amino}-2-oxoethyl)amino]-5-oxopentanoic acid N.alpha.-(benzyloxycarbonyl)-O-(t-butyl)glutamyl-O-(t-butyl)serylleucine methyl ester
Wiley ID 1410669