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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)

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SpectraBase Spectrum ID GplHF0ODflQ
Name 2-(E)-HEPTENOIC ACID, (4S)-4-[(tert-BUTYLOXYCARBONYL-(S)-PHENYLALANYL)AMINO]-6-METHYL, ETHYL ESTER (BOC-D-PHE-L-DHSOET)
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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 splash10-0c00-6911000000-10f49f336961ed3fb0c1
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany