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

*Links on SpectraBase are not permalinks.
2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-6-methyl, ethyl ester
SpectraBase Compound ID AELvRb2Wd5v
InChI InChI=1S/C24H36N2O5/c1-7-30-21(27)14-13-19(15-17(2)3)25-22(28)20(16-18-11-9-8-10-12-18)26-23(29)31-24(4,5)6/h8-14,17,19-20H,7,15-16H2,1-6H3,(H,25,28)(H,26,29)/b14-13+
InChIKey MSEGTKVCLORNTL-BUHFOSPRSA-N
Mol Weight 432.6 g/mol
Molecular Formula C24H36N2O5
Exact Mass 432.262422 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 GnwR3iCB4qW
Name 2-(E)-HEPTENOIC ACID, (4S)-4-[(tert-BUTYLOXYCARBONYL-(R)-PHENYLALANYL)AMINO]-6-METHYL-, ETHYL ESTER (BOC-L-PHE-L-DHSOET)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H36N2O5
InChI InChI=1S/C24H36N2O5/c1-7-30-21(27)14-13-19(15-17(2)3)25-22(28)20(16-18-11-9-8-10-12-18)26-23(29)31-24(4,5)6/h8-14,17,19-20H,7,15-16H2,1-6H3,(H,25,28)(H,26,29)/b14-13+
InChIKey MSEGTKVCLORNTL-BUHFOSPRSA-N
Instrument Name 311A
Molecular Weight 432.2615
SMILES N(C(C(=O)NC(CC(C)C)\C=C\C(=O)OCC)Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-074i-5911000000-28fbe5f0cc1f831b724f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany