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

*Links on SpectraBase are not permalinks.
{[N-(9-Fluorenylmethoxycarbonyl)phenylalanyl]-.alpha.-methylisoseryl}alanine tert-butyl ester
SpectraBase Compound ID IFbpKM5Znmr
InChI InChI=1S/C35H41N3O7/c1-22(31(40)45-34(2,3)4)37-32(41)35(5,43)21-36-30(39)29(19-23-13-7-6-8-14-23)38-33(42)44-20-28-26-17-11-9-15-24(26)25-16-10-12-18-27(25)28/h6-18,22,28-29,43H,19-21H2,1-5H3,(H,36,39)(H,37,41)(H,38,42)/t22-,29-,35-/m0/s1
InChIKey YFLAKPBDTVDCGH-XBQDRZEJSA-N
Mol Weight 615.7 g/mol
Molecular Formula C35H41N3O7
Exact Mass 615.294451 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 Ef7wcZalqLh
Name {[N-(9-Fluorenylmethoxycarbonyl)phenylalanyl]-.alpha.-methylisoseryl}alanine tert-butyl ester
Alternate Name(s) tert-butyl (5S,9S,12S)-5-benzyl-1-(9H-fluoren-9-yl)-9-hydroxy-9,12-dimethyl-3,6,10-trioxo-2-oxa-4,7,11-triazatridecan-13-oate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H41N3O7
InChI InChI=1S/C35H41N3O7/c1-22(31(40)45-34(2,3)4)37-32(41)35(5,43)21-36-30(39)29(19-23-13-7-6-8-14-23)38-33(42)44-20-28-26-17-11-9-15-24(26)25-16-10-12-18-27(25)28/h6-18,22,28-29,43H,19-21H2,1-5H3,(H,36,39)(H,37,41)(H,38,42)/t22-,29-,35-/m0/s1
InChIKey YFLAKPBDTVDCGH-XBQDRZEJSA-N
Molecular Weight 615.727 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@](C(NC[C@@](C(N[C@](C(OC(C)(C)C)=O)(C)[H])=O)(O)C)=O)(Cc1ccccc1)[H]
SPLASH splash10-004i-0900000000-23efcfc927860523c238
Source of Spectrum SO-0-1279-10
Wiley ID 874046